3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid

C15H19NO4 — CID 119220664

IUPAC3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
SMILESCOc1ccccc1C1(C(=O)NC(C)CC(=O)O)CC1
InChIInChI=1S/C15H19NO4/c1-10(9-13(17)18)16-14(19)15(7-8-15)11-5-3-4-6-12(11)20-2/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMSSVBFWELUJNPG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds6

About 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid

3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid (PubChem CID 119220664) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
PubChem CID119220664
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
SMILESCOc1ccccc1C1(C(=O)NC(C)CC(=O)O)CC1
InChIInChI=1S/C15H19NO4/c1-10(9-13(17)18)16-14(19)15(7-8-15)11-5-3-4-6-12(11)20-2/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMSSVBFWELUJNPG-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 110466088
3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 120522765
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
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CID 116844537
N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
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1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 139000739
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940
1-(2-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
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1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The IUPAC name of 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid (CID 119220664) is 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid is COc1ccccc1C1(C(=O)NC(C)CC(=O)O)CC1.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The InChIKey is MSSVBFWELUJNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(9-13(17)18)16-14(19)15(7-8-15)11-5-3-4-6-12(11)20-2/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid?
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 119220664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).