4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H22N2O3 — CID 63715319

IUPAC4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CNCC1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-8-6-14-7-11(8)12(16)15-10-4-2-9(3-5-10)13(17)18/h8-11,14H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyMUIYXAQBZSSWBW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.60
Rot. Bonds3

About 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63715319) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63715319
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CNCC1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-8-6-14-7-11(8)12(16)15-10-4-2-9(3-5-10)13(17)18/h8-11,14H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyMUIYXAQBZSSWBW-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 114084930
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
N-(1-cyclopropylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 55228814
N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512
N-(1-ethylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 63715986
(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
CID 131204171
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 131110722
N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide
CID 79400917
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63713938
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
CID 79401380

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63715319) is 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CNCC1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MUIYXAQBZSSWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-6-14-7-11(8)12(16)15-10-4-2-9(3-5-10)13(17)18/h8-11,14H,2-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63715319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).