2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid

C14H20N2O3 — CID 115150963

IUPAC2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid
SMILESCN(C(=O)C1CCC(CC(=O)O)CC1)c1cc[nH]c1
InChIInChI=1S/C14H20N2O3/c1-16(12-6-7-15-9-12)14(19)11-4-2-10(3-5-11)8-13(17)18/h6-7,9-11,15H,2-5,8H2,1H3,(H,17,18)
InChIKeyQTFYWKBVXGCWRN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid

2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid (PubChem CID 115150963) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid
PubChem CID115150963
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid
SMILESCN(C(=O)C1CCC(CC(=O)O)CC1)c1cc[nH]c1
InChIInChI=1S/C14H20N2O3/c1-16(12-6-7-15-9-12)14(19)11-4-2-10(3-5-11)8-13(17)18/h6-7,9-11,15H,2-5,8H2,1H3,(H,17,18)
InChIKeyQTFYWKBVXGCWRN-UHFFFAOYSA-N
XLogP2.26
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(1-methylpyrrol-3-yl)nonanamide
CID 57138776
trans-(1R,3R)-3-(1H-pyrrol-3-ylamino)cyclohexane-1-carboxamide
CID 69114515
1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide
CID 138499896
N-(1H-pyrrol-3-yl)cyclohexanecarboxamide
CID 174639217
tert-butyl-[(4S)-6-methyl-3-oxo-1-(1H-pyrrol-3-ylamino)heptan-4-yl]carbamic acid
CID 175381735
2-[1-[2-oxo-2-(1H-pyrrol-3-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 106384446
cis-(1S,2R)-2-(2-pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106390552
1-[2-Oxo-2-(2-pyrrol-1-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 106390557
2-(2-Pyrrol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106390560
cis-(1S,2R)-2-(1H-pyrrol-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114181899
1-[2-oxo-2-(1H-pyrrol-3-ylmethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 114181900
2-(1H-pyrrol-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114181901

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid (CID 115150963) is 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid is CN(C(=O)C1CCC(CC(=O)O)CC1)c1cc[nH]c1.
What is the InChIKey of 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid?
The InChIKey is QTFYWKBVXGCWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(12-6-7-15-9-12)14(19)11-4-2-10(3-5-11)8-13(17)18/h6-7,9-11,15H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid?
2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid is sourced from PubChem (CID 115150963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).