2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

C12H18N2O4 — CID 114081812

IUPAC2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)C2CCCC2C(=O)O)C1
InChIInChI=1S/C12H18N2O4/c13-10(15)7-4-5-14(6-7)11(16)8-2-1-3-9(8)12(17)18/h7-9H,1-6H2,(H2,13,15)(H,17,18)
InChIKeyFECGYURXBWUIPA-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.18
Rot. Bonds3

About 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114081812) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114081812
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)C2CCCC2C(=O)O)C1
InChIInChI=1S/C12H18N2O4/c13-10(15)7-4-5-14(6-7)11(16)8-2-1-3-9(8)12(17)18/h7-9H,1-6H2,(H2,13,15)(H,17,18)
InChIKeyFECGYURXBWUIPA-UHFFFAOYSA-N
XLogP-0.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091476
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
1-(bicyclo[2.2.1]heptane-2-carbonyl)pyrrolidine-3-carboxamide
CID 56813699
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide
CID 98763074
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 103979074
(3R)-1-[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 100629246
cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide
CID 57463673
cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092330
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 113360949

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114081812) is 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is NC(=O)C1CCN(C(=O)C2CCCC2C(=O)O)C1.
What is the InChIKey of 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is FECGYURXBWUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c13-10(15)7-4-5-14(6-7)11(16)8-2-1-3-9(8)12(17)18/h7-9H,1-6H2,(H2,13,15)(H,17,18).
What are the key properties of 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114081812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).