3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid

C14H17NO5 — CID 120515258

IUPAC3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid
SMILESC=CCOc1cc(OC)ccc1C(=O)NCCC(=O)O
InChIInChI=1S/C14H17NO5/c1-3-8-20-12-9-10(19-2)4-5-11(12)14(18)15-7-6-13(16)17/h3-5,9H,1,6-8H2,2H3,(H,15,18)(H,16,17)
InChIKeyIXQNNEKWHIEXEH-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.46
Rot. Bonds8

About 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid

3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid (PubChem CID 120515258) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid
PubChem CID120515258
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid
SMILESC=CCOc1cc(OC)ccc1C(=O)NCCC(=O)O
InChIInChI=1S/C14H17NO5/c1-3-8-20-12-9-10(19-2)4-5-11(12)14(18)15-7-6-13(16)17/h3-5,9H,1,6-8H2,2H3,(H,15,18)(H,16,17)
InChIKeyIXQNNEKWHIEXEH-UHFFFAOYSA-N
XLogP1.46
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
3-[(4-chloro-2-ethoxybenzoyl)amino]propanoic acid
CID 120515164
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid (CID 120515258) is 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid is C=CCOc1cc(OC)ccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid?
The InChIKey is IXQNNEKWHIEXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-3-8-20-12-9-10(19-2)4-5-11(12)14(18)15-7-6-13(16)17/h3-5,9H,1,6-8H2,2H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid?
3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 120515258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).