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

C14H17NO5 — CID 106107483

IUPAC2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
SMILESC=CCOc1ccc(C(=O)NCC(OC)C(=O)O)cc1
InChIInChI=1S/C14H17NO5/c1-3-8-20-11-6-4-10(5-7-11)13(16)15-9-12(19-2)14(17)18/h3-7,12H,1,8-9H2,2H3,(H,15,16)(H,17,18)
InChIKeyUDXLNHBVLZLDNY-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.08
Rot. Bonds8

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

2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid (PubChem CID 106107483) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
PubChem CID106107483
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
SMILESC=CCOc1ccc(C(=O)NCC(OC)C(=O)O)cc1
InChIInChI=1S/C14H17NO5/c1-3-8-20-11-6-4-10(5-7-11)13(16)15-9-12(19-2)14(17)18/h3-7,12H,1,8-9H2,2H3,(H,15,16)(H,17,18)
InChIKeyUDXLNHBVLZLDNY-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxypropyl]-4-prop-2-enoxybenzamide
CID 83030992
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144332
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441
2,2-dimethyl-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 81367554
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
CID 111461166
N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
CID 115627677
2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 106108102
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
3-[(3-chloro-4-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144324

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid (CID 106107483) is 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid is C=CCOc1ccc(C(=O)NCC(OC)C(=O)O)cc1.
What is the InChIKey of 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid?
The InChIKey is UDXLNHBVLZLDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-3-8-20-11-6-4-10(5-7-11)13(16)15-9-12(19-2)14(17)18/h3-7,12H,1,8-9H2,2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid?
2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 106107483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).