(6S)-4,6,7,8-tetrahydro-4-oxoPyrrolo[1,2-a]pyriMidine-6carboxylic acid manufacturers and suppliers on PharmaCompass

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Also known as: 1190392-22-3, (6s)-4-oxo-7,8-dihydro-6h-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, (6s)-4,6,7,8-tetrahydro-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, Schembl11964114, Ac3146, Akos037631126
Molecular Formula
C8H8N2O3
Molecular Weight
180.16  g/mol
InChI Key
VBGNTNJINOCQNQ-YFKPBYRVSA-N

(6S)-4,6,7,8-tetrahydro-4-oxoPyrrolo[1,2-a]pyriMidine-6carboxylic acid
1 2D Structure

(6S)-4,6,7,8-tetrahydro-4-oxoPyrrolo[1,2-a]pyriMidine-6carboxylic acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
2.1.2 InChI
InChI=1S/C8H8N2O3/c11-7-3-4-9-6-2-1-5(8(12)13)10(6)7/h3-5H,1-2H2,(H,12,13)/t5-/m0/s1
2.1.3 InChI Key
VBGNTNJINOCQNQ-YFKPBYRVSA-N
2.1.4 Canonical SMILES
C1CC2=NC=CC(=O)N2C1C(=O)O
2.1.5 Isomeric SMILES
C1CC2=NC=CC(=O)N2[C@@H]1C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1190392-22-3

2. (6s)-4-oxo-7,8-dihydro-6h-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

3. (6s)-4,6,7,8-tetrahydro-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

4. Schembl11964114

5. Ac3146

6. Akos037631126

7. Zinc200989902

8. Cs-0083435

9. (6s)-4-oxo-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

10. (6s)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 180.16 g/mol
Molecular Formula C8H8N2O3
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area70
Heavy Atom Count13
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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