2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid

C13H21NO3 — CID 81387173

IUPAC2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESC[C@@H](NC(=O)C1CC1C(=O)O)C1CCCCC1
InChIInChI=1S/C13H21NO3/c1-8(9-5-3-2-4-6-9)14-12(15)10-7-11(10)13(16)17/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17)/t8-,10?,11?/m1/s1
InChIKeyLVQWWXVAANLJJD-MFAVDMRSSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds4

About 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 81387173) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID81387173
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESC[C@@H](NC(=O)C1CC1C(=O)O)C1CCCCC1
InChIInChI=1S/C13H21NO3/c1-8(9-5-3-2-4-6-9)14-12(15)10-7-11(10)13(16)17/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17)/t8-,10?,11?/m1/s1
InChIKeyLVQWWXVAANLJJD-MFAVDMRSSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790933
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
6-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81387090
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
(1S,6R)-6-(1-cyclobutylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962744
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81385804
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182
N-[(1R)-1-cyclohexylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81386633
3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 81387091
N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81390477

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 81387173) is 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid is C[C@@H](NC(=O)C1CC1C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LVQWWXVAANLJJD-MFAVDMRSSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8(9-5-3-2-4-6-9)14-12(15)10-7-11(10)13(16)17/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17)/t8-,10?,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 81387173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).