2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid

C13H18N2O3 — CID 115150948

IUPAC2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C(=O)Nc2ccc[nH]2)CC1
InChIInChI=1S/C13H18N2O3/c16-12(17)8-9-3-5-10(6-4-9)13(18)15-11-2-1-7-14-11/h1-2,7,9-10,14H,3-6,8H2,(H,15,18)(H,16,17)
InChIKeyJHILTLPSXPORQP-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.23
Rot. Bonds4

About 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid

2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid (PubChem CID 115150948) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid
PubChem CID115150948
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C(=O)Nc2ccc[nH]2)CC1
InChIInChI=1S/C13H18N2O3/c16-12(17)8-9-3-5-10(6-4-9)13(18)15-11-2-1-7-14-11/h1-2,7,9-10,14H,3-6,8H2,(H,15,18)(H,16,17)
InChIKeyJHILTLPSXPORQP-UHFFFAOYSA-N
XLogP2.23
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
CID 115150952
1-(2-aminoethyl)-N-(1H-pyrrol-2-yl)piperidine-4-carboxamide
CID 115161785
2-piperidin-3-yl-N-(1H-pyrrol-2-yl)acetamide
CID 115160560
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
CID 115150956
2-cyclopropylacetic acid;ethane;2-methylpyridine
CID 145428702
4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103094698
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid
CID 115150963
N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide
CID 4548448
2-cyclopropyl-N-phenylacetamide
CID 60753326
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid (CID 115150948) is 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid is O=C(O)CC1CCC(C(=O)Nc2ccc[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid?
The InChIKey is JHILTLPSXPORQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12(17)8-9-3-5-10(6-4-9)13(18)15-11-2-1-7-14-11/h1-2,7,9-10,14H,3-6,8H2,(H,15,18)(H,16,17).
What are the key properties of 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid?
2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrol-2-ylcarbamoyl)cyclohexyl]acetic acid is sourced from PubChem (CID 115150948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).