2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C13H18N2O3 — CID 106390529

IUPAC2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCn1ccc(CNC(=O)C2CCCC2C(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-15-6-5-9(8-15)7-14-12(16)10-3-2-4-11(10)13(17)18/h5-6,8,10-11H,2-4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyLBKWKGDBAYUGOF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds4

About 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106390529) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106390529
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCn1ccc(CNC(=O)C2CCCC2C(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-15-6-5-9(8-15)7-14-12(16)10-3-2-4-11(10)13(17)18/h5-6,8,10-11H,2-4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyLBKWKGDBAYUGOF-UHFFFAOYSA-N
XLogP1.14
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,2S)-4-ethyl-2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390546
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 102953575
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
cis-(1S,2R)-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114185864
(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
CID 96672355
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
CID 126778492
2-[(3-chloro-4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 62537256
2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 122101524
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106390529) is 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is Cn1ccc(CNC(=O)C2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LBKWKGDBAYUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15-6-5-9(8-15)7-14-12(16)10-3-2-4-11(10)13(17)18/h5-6,8,10-11H,2-4,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106390529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).