2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid

C15H19NO3 — CID 64835939

IUPAC2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1C(C(=O)O)C1(C)C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-9(10-7-5-4-6-8-10)16-13(17)11-12(14(18)19)15(11,2)3/h4-9,11-12H,1-3H3,(H,16,17)(H,18,19)
InChIKeyJMWAQSQYJCECQL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.22
Rot. Bonds4

About 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 64835939) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID64835939
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1C(C(=O)O)C1(C)C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-9(10-7-5-4-6-8-10)16-13(17)11-12(14(18)19)15(11,2)3/h4-9,11-12H,1-3H3,(H,16,17)(H,18,19)
InChIKeyJMWAQSQYJCECQL-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81399588
cis-(1S,3R)-3-[1-(3-ethoxyphenyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065439
cis-(1S,3R)-3-[1-[4-(diethylcarbamoylamino)phenyl]ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066617
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
cis-(1R,3S)-2,2-dimethyl-3-[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066942
2,2-dimethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106281422
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
(1R)-2,2-difluoro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058749
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
cis-(1R,3S)-3-[[3-(difluoromethyl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122082889
cis-(1S,3R)-3-[[(1R)-2-carboxy-1-(3-fluorophenyl)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 98762700
cis-(1R,3S)-3-[[(1R)-2-carboxy-1-(3-fluorophenyl)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124774178

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 64835939) is 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid is CC(NC(=O)C1C(C(=O)O)C1(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is JMWAQSQYJCECQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(10-7-5-4-6-8-10)16-13(17)11-12(14(18)19)15(11,2)3/h4-9,11-12H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).