1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid

C16H28N2O3 — CID 106976079

IUPAC1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C16H28N2O3/c1-3-7-16(14(20)21)9-5-10-18(16)13(19)15(17)8-4-6-12(2)11-15/h12H,3-11,17H2,1-2H3,(H,20,21)
InChIKeyQMTJWZFQNZQOIU-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.14
Rot. Bonds4

About 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976079) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976079
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C16H28N2O3/c1-3-7-16(14(20)21)9-5-10-18(16)13(19)15(17)8-4-6-12(2)11-15/h12H,3-11,17H2,1-2H3,(H,20,21)
InChIKeyQMTJWZFQNZQOIU-UHFFFAOYSA-N
XLogP2.14
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106976079) is 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is QMTJWZFQNZQOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-7-16(14(20)21)9-5-10-18(16)13(19)15(17)8-4-6-12(2)11-15/h12H,3-11,17H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).