1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 63998601

IUPAC1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(NC(=O)N2CCCC2C(=O)O)C(C)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-6-11(10(2)8-9)15-14(19)16-7-3-4-12(16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySIGWNYXDDVDQOO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds2

About 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 63998601) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID63998601
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(NC(=O)N2CCCC2C(=O)O)C(C)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-6-11(10(2)8-9)15-14(19)16-7-3-4-12(16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySIGWNYXDDVDQOO-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79001469
(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104931163
1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 107414526
N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 102557118
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939753
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425404
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922873
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 63998601) is 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1CCC(NC(=O)N2CCCC2C(=O)O)C(C)C1.
What is the InChIKey of 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SIGWNYXDDVDQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-5-6-11(10(2)8-9)15-14(19)16-7-3-4-12(16)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63998601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).