(2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 78922898

IUPAC(2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)N2CCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-10-5-3-6-11(9-10)15(2)14(19)16-8-4-7-12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11?,12-/m1/s1
InChIKeyHTQQUOBQYXRGCZ-HTAVTVPLSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds2

About (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922898) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922898
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)N2CCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-10-5-3-6-11(9-10)15(2)14(19)16-8-4-7-12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11?,12-/m1/s1
InChIKeyHTQQUOBQYXRGCZ-HTAVTVPLSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199868
1-[methyl-(2-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55004724
2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780755
1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61205598
1-[cyclopentyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071305
2-ethyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780937
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043737
(2R)-N-cyclohexyl-N,2-dimethylpyrrolidine-1-carboxamide
CID 91128392
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202504
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78922898) is (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1CCCC(N(C)C(=O)N2CCC[C@@H]2C(=O)O)C1.
What is the InChIKey of (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HTQQUOBQYXRGCZ-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-5-3-6-11(9-10)15(2)14(19)16-8-4-7-12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).