(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid

C15H19NO3 — CID 95539938

IUPAC(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
SMILESCc1cccc(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)c1
InChIInChI=1S/C15H19NO3/c1-10-4-3-5-12(8-10)14(17)16(13-6-7-13)9-11(2)15(18)19/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyGAZOKYZLTYNDEH-LLVKDONJSA-N
MW261.32 g/mol
LogP2.32
Rot. Bonds5

About (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid (PubChem CID 95539938) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
PubChem CID95539938
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
SMILESCc1cccc(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)c1
InChIInChI=1S/C15H19NO3/c1-10-4-3-5-12(8-10)14(17)16(13-6-7-13)9-11(2)15(18)19/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyGAZOKYZLTYNDEH-LLVKDONJSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
3-[cyclopropyl-(3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 82326055
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
CID 54926450
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
2-methyl-3-(N-(3-methylbenzoyl)anilino)propanoic acid
CID 82321596
3-[1-hydroxybutan-2-yl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 82324689
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
CID 55001659
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid (CID 95539938) is (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid is Cc1cccc(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)c1.
What is the InChIKey of (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is GAZOKYZLTYNDEH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-4-3-5-12(8-10)14(17)16(13-6-7-13)9-11(2)15(18)19/h3-5,8,11,13H,6-7,9H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 95539938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).