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Also known as: 88550-64-5, 4-amino-3-hydroxy-butanoic acid methyl ester, Schembl854003, Akos006341802, Methyl4-amino-3-hydroxybutanoate, Da-16623
Molecular Formula
C5H11NO3
Molecular Weight
133.15  g/mol
InChI Key
QUTSKIWJUHDULC-UHFFFAOYSA-N

CAS 88550-64-5
1 2D Structure

CAS 88550-64-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-amino-3-hydroxybutanoate
2.1.2 InChI
InChI=1S/C5H11NO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3,6H2,1H3
2.1.3 InChI Key
QUTSKIWJUHDULC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)CC(CN)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 88550-64-5

2. 4-amino-3-hydroxy-butanoic Acid Methyl Ester

3. Schembl854003

4. Akos006341802

5. Methyl4-amino-3-hydroxybutanoate

6. Da-16623

7. Ft-0747054

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 133.15 g/mol
Molecular Formula C5H11NO3
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass133.07389321 g/mol
Monoisotopic Mass133.07389321 g/mol
Topological Polar Surface Area72.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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