2-(3-Aminopropanoylamino)-3-hydroxybutanoic acid

HCID 352806

Notes Reactions

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Basic information

Standard SMILES: CC(O)C(NC(=O)CCN)C(=O)O
InChIKey: BBYQKHIJVDQILI-UHFFFAOYSA-N
Molecular formula: C7H14N2O4
Average molar mass: 190.2 g/mol

Names & identifiers

Preferred name: 2-(3-Aminopropanoylamino)-3-hydroxybutanoic acid
IUPAC: 2-(3-aminopropanoylamino)-3-hydroxybutanoic acid

Names & synonyms

NSC528018SCHEMBL8982544NSC-528018

Database identifiers

PubChem CID: 352806

Properties

Computed structural properties

XLogP: -4.4
Topological polar surface area: 113 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 195

Related reactions

4 records

New reaction record

HRID 92885 reaction equation

HRID 92885As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 205058 reaction equation

HRID 205058As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 665814 reaction equation

HRID 665814As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1568458 reaction equation

HRID 1568458As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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