(2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 78922600

IUPAC(2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(NC(=O)N2CCC[C@@H]2C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O3/c1-13(7-3-2-4-8-13)14-12(18)15-9-5-6-10(15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyVQFNNLKWGNFNTL-SNVBAGLBSA-N
MW254.33 g/mol
LogP1.97
Rot. Bonds2

About (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922600) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922600
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(NC(=O)N2CCC[C@@H]2C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O3/c1-13(7-3-2-4-8-13)14-12(18)15-9-5-6-10(15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyVQFNNLKWGNFNTL-SNVBAGLBSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-methylcyclohexyl)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
CID 22064796
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
1-[(2,2-dimethylcyclopropyl)carbamoyl]azepane-2-carboxylic acid
CID 64564491
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63996144
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78922600) is (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1(NC(=O)N2CCC[C@@H]2C(=O)O)CCCCC1.
What is the InChIKey of (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VQFNNLKWGNFNTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(7-3-2-4-8-13)14-12(18)15-9-5-6-10(15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).