(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid

C15H19NO4 — CID 95540234

IUPAC(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCOc1ccccc1C(=O)N(C[C@H](C)C(=O)O)C1CC1
InChIInChI=1S/C15H19NO4/c1-10(15(18)19)9-16(11-7-8-11)14(17)12-5-3-4-6-13(12)20-2/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyIVKGZLBLNSKKLP-JTQLQIEISA-N
MW277.32 g/mol
LogP2.02
Rot. Bonds6

About (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid

(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid (PubChem CID 95540234) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
PubChem CID95540234
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCOc1ccccc1C(=O)N(C[C@H](C)C(=O)O)C1CC1
InChIInChI=1S/C15H19NO4/c1-10(15(18)19)9-16(11-7-8-11)14(17)12-5-3-4-6-13(12)20-2/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyIVKGZLBLNSKKLP-JTQLQIEISA-N
XLogP2.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate
CID 84559096
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 82324930
N-(azetidin-3-yl)-N-ethyl-2-methoxybenzamide
CID 66182739
2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
CID 55001836
N-cyclopropyl-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759797
N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid (CID 95540234) is (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid is COc1ccccc1C(=O)N(C[C@H](C)C(=O)O)C1CC1.
What is the InChIKey of (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is IVKGZLBLNSKKLP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(15(18)19)9-16(11-7-8-11)14(17)12-5-3-4-6-13(12)20-2/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid?
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 95540234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).