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

C14H24N2O3 — CID 63141596

IUPAC4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2(C)CCNC2)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-10-3-5-14(6-4-10,12(18)19)16-11(17)13(2)7-8-15-9-13/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyTYABVZDFFVLEQZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.14
Rot. Bonds3

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

4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63141596) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63141596
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2(C)CCNC2)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-10-3-5-14(6-4-10,12(18)19)16-11(17)13(2)7-8-15-9-13/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyTYABVZDFFVLEQZ-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63141596) is 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)C2(C)CCNC2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is TYABVZDFFVLEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-3-5-14(6-4-10,12(18)19)16-11(17)13(2)7-8-15-9-13/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63141596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).