2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C15H19NO3 — CID 120974742

IUPAC2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C15H19NO3/c1-9-3-5-11(6-4-9)10(2)16-14(17)12-7-8-13(12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIBHNXBCBLHXUAI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974742) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974742
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C15H19NO3/c1-9-3-5-11(6-4-9)10(2)16-14(17)12-7-8-13(12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIBHNXBCBLHXUAI-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6S)-6-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27475382
2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
(1S,2S,3R,4S)-3-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557962
2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976401
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103246093
(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944580
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665
2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
CID 167814895
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120974742) is 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1ccc(C(C)NC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is IBHNXBCBLHXUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-3-5-11(6-4-9)10(2)16-14(17)12-7-8-13(12)15(18)19/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).