1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 79527352

IUPAC1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H24N2O3/c1-14(13(18)19)7-2-8-16(14)12(17)11-5-3-10(9-15)4-6-11/h10-11H,2-9,15H2,1H3,(H,18,19)
InChIKeyXIBQOCXUNIXJKQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.22
Rot. Bonds3

About 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid

1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 79527352) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID79527352
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H24N2O3/c1-14(13(18)19)7-2-8-16(14)12(17)11-5-3-10(9-15)4-6-11/h10-11H,2-9,15H2,1H3,(H,18,19)
InChIKeyXIBQOCXUNIXJKQ-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727
[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404369
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107000430
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 138028545
2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 104595183
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 115270531
2-methyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 103871068
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79759504
2-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104914695

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid (CID 79527352) is 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)C1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is XIBQOCXUNIXJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(13(18)19)7-2-8-16(14)12(17)11-5-3-10(9-15)4-6-11/h10-11H,2-9,15H2,1H3,(H,18,19).
What are the key properties of 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79527352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).