(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 79001469

IUPAC(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(NC(=O)N2CCC[C@@H]2C(=O)O)C1C
InChIInChI=1S/C13H22N2O3/c1-8-5-6-10(9(8)2)14-13(18)15-7-3-4-11(15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9?,10?,11-/m1/s1
InChIKeyZJKPLIXAIDVUOF-AHELAYONSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds2

About (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79001469) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79001469
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(NC(=O)N2CCC[C@@H]2C(=O)O)C1C
InChIInChI=1S/C13H22N2O3/c1-8-5-6-10(9(8)2)14-13(18)15-7-3-4-11(15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9?,10?,11-/m1/s1
InChIKeyZJKPLIXAIDVUOF-AHELAYONSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63998601
(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104931163
1-[(2,3-dimethylcyclopentyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782804
1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64922451
(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922873
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000169
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816122
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186326
1-[(2-ethylcyclohexyl)carbamoyl]azepane-2-carboxylic acid
CID 64562536
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 79001469) is (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1CCC(NC(=O)N2CCC[C@@H]2C(=O)O)C1C.
What is the InChIKey of (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZJKPLIXAIDVUOF-AHELAYONSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-5-6-10(9(8)2)14-13(18)15-7-3-4-11(15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8?,9?,10?,11-/m1/s1.
What are the key properties of (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79001469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).