2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C15H19NO3 — CID 54868401

IUPAC2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(C)c(C(C)NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-8-4-5-9(2)11(6-8)10(3)16-14(17)12-7-13(12)15(18)19/h4-6,10,12-13H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGLLVUQZYVQZMOC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.20
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54868401) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54868401
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(C)c(C(C)NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-8-4-5-9(2)11(6-8)10(3)16-14(17)12-7-13(12)15(18)19/h4-6,10,12-13H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGLLVUQZYVQZMOC-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922406
N-[1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 6469818
cis-(1S,2R)-2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11922211
trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 124719319
2-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119180730
cis-(1S,2R)-2-[[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125118630
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
trans-(1S,2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366725
trans-(1R,2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124834541
(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61180295
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 54868401) is 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is Cc1ccc(C)c(C(C)NC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GLLVUQZYVQZMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8-4-5-9(2)11(6-8)10(3)16-14(17)12-7-13(12)15(18)19/h4-6,10,12-13H,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54868401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).