Butanoic acid, 2-amino-3-hydroxy, propyl ester

Butanoic acid, 2-amino-3-hydroxy, propyl ester
Compound Structure:
Synonyms: SCHEMBL15802696;Butanoic acid, 2-amino-3-hydroxy, propyl ester
Compound ID: NMPC-695
PubChem ID:

13783256
Molecular Formula: C7H15NO3
Canonical SMILES: CCCOC(=O)C(C(C)O)N
InChIKey: RELVKKXAEWOJGJ-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

161.20 g/mol

XLogP3-AA

-0.1

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

5

Exact Mass

161.10519334 g/mol

Monoisotopic Mass

161.10519334 g/mol

Topological Polar Surface Area

72.6Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

127

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Source: PubChem                                                                                             
Source Species: Vernonia amygdalina
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