cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H20N2O3 — CID 114185871

IUPACcis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NCc2cccn2C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O3/c1-9-6-11(12(7-9)14(18)19)13(17)15-8-10-4-3-5-16(10)2/h3-5,9,11-12H,6-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,11-,12+/m0/s1
InChIKeyYQTGJOLSBXENGS-CLGJWYQZSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds4

About cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114185871) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114185871
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namecis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1C[C@H](C(=O)NCc2cccn2C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O3/c1-9-6-11(12(7-9)14(18)19)13(17)15-8-10-4-3-5-16(10)2/h3-5,9,11-12H,6-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,11-,12+/m0/s1
InChIKeyYQTGJOLSBXENGS-CLGJWYQZSA-N
XLogP1.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114185864
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
(2R,5S)-5-[(1-methylpyrrol-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106414767
cis-(1S,2R)-2-[[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132467
cis-(1R,2S)-4-methyl-2-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114181906
4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391406
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
CID 106416698
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390786
4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390788
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114185871) is cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CC1C[C@H](C(=O)NCc2cccn2C)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is YQTGJOLSBXENGS-CLGJWYQZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-11(12(7-9)14(18)19)13(17)15-8-10-4-3-5-16(10)2/h3-5,9,11-12H,6-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114185871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).