N-(5-Carboxypentyl)maleamic acid

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Basic information

Standard SMILES: O=C(O)C=CC(=O)NCCCCCC(=O)O
InChIKey: OHQFLBMAHZJOJA-UHFFFAOYSA-N
Molecular formula: C10H15NO5
Average molar mass: 229.23 g/mol

Names & identifiers

Preferred name: N-(5-Carboxypentyl)maleamic acid
IUPAC: 6-(3-carboxyprop-2-enoylamino)hexanoic acid

Names & synonyms

N-(5-Carboxypentyl)maleamic acidSCHEMBL819786-Maleamidocaproic acid; N-(5-Carboxy-n-pentyl)maleamic acidOHQFLBMAHZJOJA-UHFFFAOYSA-N3-[5-Carboxypentylcarbamoyl]acrylic acid6-{[(2Z)-3-Carboxy-2-propenoyl]amino}hexanoic acid

Database identifiers

PubChem CID: 329056

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 104 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 285

Related reactions

7 records

New reaction record

HRID 116949As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 824007As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1661865As productuspto-grants-2011_10

HRID 1661866As reactantuspto-grants-2011_10

HRID 1808658As productuspto-grants-2013_01

HRID 1808659As reactantuspto-grants-2013_01

HRID 2136174As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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