2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid

C17H23NO4 — CID 119193022

IUPAC2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1cccc(C2CC2C(=O)N(CC(=O)O)CC(C)C)c1
InChIInChI=1S/C17H23NO4/c1-11(2)9-18(10-16(19)20)17(21)15-8-14(15)12-5-4-6-13(7-12)22-3/h4-7,11,14-15H,8-10H2,1-3H3,(H,19,20)
InChIKeyLKBSWQNACUUMFV-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.37
Rot. Bonds7

About 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193022) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193022
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1cccc(C2CC2C(=O)N(CC(=O)O)CC(C)C)c1
InChIInChI=1S/C17H23NO4/c1-11(2)9-18(10-16(19)20)17(21)15-8-14(15)12-5-4-6-13(7-12)22-3/h4-7,11,14-15H,8-10H2,1-3H3,(H,19,20)
InChIKeyLKBSWQNACUUMFV-UHFFFAOYSA-N
XLogP2.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209130
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189714
3-[(2,3-difluorophenyl)methyl-[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119212472
2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193256
trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 129437157
N-[[4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 46071697
(2S,3S)-2-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 97324073
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119206122
2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125150604

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid (CID 119193022) is 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid is COc1cccc(C2CC2C(=O)N(CC(=O)O)CC(C)C)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is LKBSWQNACUUMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11(2)9-18(10-16(19)20)17(21)15-8-14(15)12-5-4-6-13(7-12)22-3/h4-7,11,14-15H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 2.37, 7 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]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).