2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid

C15H19NO4 — CID 119209130

IUPAC2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
SMILESCOc1cccc(C2CC2C(=O)N(C)C(C)C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-9(15(18)19)16(2)14(17)13-8-12(13)10-5-4-6-11(7-10)20-3/h4-7,9,12-13H,8H2,1-3H3,(H,18,19)
InChIKeyJVJIHRKEPOQYQM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds5

About 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid

2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid (PubChem CID 119209130) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
PubChem CID119209130
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
SMILESCOc1cccc(C2CC2C(=O)N(C)C(C)C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-9(15(18)19)16(2)14(17)13-8-12(13)10-5-4-6-11(7-10)20-3/h4-7,9,12-13H,8H2,1-3H3,(H,18,19)
InChIKeyJVJIHRKEPOQYQM-UHFFFAOYSA-N
XLogP1.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
(2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid
CID 99701873
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193022
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
2-[[2-(4-bromophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209516
(2S,3S)-2-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 97324073
trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 129437157
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
methyl (2S)-2-[[(1S,2R)-2-(2,5-dimethoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoate
CID 125140826
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
(3R,4S)-1-(benzenesulfonyl)-4-(3-methoxyphenyl)-N-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93154582
(3R,4R)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962564

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid (CID 119209130) is 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid is COc1cccc(C2CC2C(=O)N(C)C(C)C(=O)O)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid?
The InChIKey is JVJIHRKEPOQYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(15(18)19)16(2)14(17)13-8-12(13)10-5-4-6-11(7-10)20-3/h4-7,9,12-13H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid?
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119209130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).