2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid

C13H20N2O4 — CID 103978471

IUPAC2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-14-11(16)10-6-3-7-15(10)12(17)8-4-2-5-9(8)13(18)19/h8-10H,2-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyCMALDRYLYMGQOT-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.22
Rot. Bonds3

About 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid

2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 103978471) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID103978471
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-14-11(16)10-6-3-7-15(10)12(17)8-4-2-5-9(8)13(18)19/h8-10H,2-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyCMALDRYLYMGQOT-UHFFFAOYSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminocyclopentanecarbonyl)-N-methylpiperidine-2-carboxamide
CID 64824181
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid
CID 107071491
(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 122126119
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688135
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
(2S)-N-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93376645
2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978462
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 103978471) is 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid is CNC(=O)C1CCCN1C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is CMALDRYLYMGQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-11(16)10-6-3-7-15(10)12(17)8-4-2-5-9(8)13(18)19/h8-10H,2-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).