2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid

C13H16N2O4 — CID 107207977

IUPAC2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid
SMILESC=CCC(NC(=O)c1ccc(N)cc1OC)C(=O)O
InChIInChI=1S/C13H16N2O4/c1-3-4-10(13(17)18)15-12(16)9-6-5-8(14)7-11(9)19-2/h3,5-7,10H,1,4,14H2,2H3,(H,15,16)(H,17,18)
InChIKeyUWHFQJSNZJXJPJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.04
Rot. Bonds6

About 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid

2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid (PubChem CID 107207977) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid
PubChem CID107207977
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid
SMILESC=CCC(NC(=O)c1ccc(N)cc1OC)C(=O)O
InChIInChI=1S/C13H16N2O4/c1-3-4-10(13(17)18)15-12(16)9-6-5-8(14)7-11(9)19-2/h3,5-7,10H,1,4,14H2,2H3,(H,15,16)(H,17,18)
InChIKeyUWHFQJSNZJXJPJ-UHFFFAOYSA-N
XLogP1.04
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-amino-2-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 107208004
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
(E)-2-[(4-bromo-2-methoxybenzoyl)amino]hex-4-enoic acid
CID 120692805
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
4-amino-2-[(4-bromo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 115368589
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
4-bromo-2-methoxy-N-pent-4-en-2-ylbenzamide
CID 115631363
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
2-[(4-bromo-2-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 113295962
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid?
The IUPAC name of 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid (CID 107207977) is 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid.
What is the SMILES notation for 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid?
The canonical SMILES for 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid is C=CCC(NC(=O)c1ccc(N)cc1OC)C(=O)O.
What is the InChIKey of 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid?
The InChIKey is UWHFQJSNZJXJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-4-10(13(17)18)15-12(16)9-6-5-8(14)7-11(9)19-2/h3,5-7,10H,1,4,14H2,2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid?
2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid is sourced from PubChem (CID 107207977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).