1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C14H20N2O3 — CID 79324558

IUPAC1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-15(9-11-5-2-3-6-11)13(17)10-16-8-4-7-12(16)14(18)19/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyFHABQWUMWMBKIH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79324558) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79324558
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-15(9-11-5-2-3-6-11)13(17)10-16-8-4-7-12(16)14(18)19/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,18,19)
InChIKeyFHABQWUMWMBKIH-UHFFFAOYSA-N
XLogP1.83
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324235
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866026
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866003
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323921
1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324985
2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide
CID 63630834
1-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324059
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 70754540
1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325341
1-[2-(2-ethylazepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 104691186
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904803

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79324558) is 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is CN(CC1CCCC1)C(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is FHABQWUMWMBKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(9-11-5-2-3-6-11)13(17)10-16-8-4-7-12(16)14(18)19/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).