4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid

C16H30N2O3 — CID 106975362

IUPAC4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESCCCC1(C(=O)NCCC(C)(C)CCC(=O)O)CCCN1
InChIInChI=1S/C16H30N2O3/c1-4-7-16(8-5-11-18-16)14(21)17-12-10-15(2,3)9-6-13(19)20/h18H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBNSAXEWTTKGFNW-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.31
Rot. Bonds9

About 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid

4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid (PubChem CID 106975362) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid
PubChem CID106975362
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESCCCC1(C(=O)NCCC(C)(C)CCC(=O)O)CCCN1
InChIInChI=1S/C16H30N2O3/c1-4-7-16(8-5-11-18-16)14(21)17-12-10-15(2,3)9-6-13(19)20/h18H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBNSAXEWTTKGFNW-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic 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 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid (CID 106975362) is 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid is CCCC1(C(=O)NCCC(C)(C)CCC(=O)O)CCCN1.
What is the InChIKey of 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The InChIKey is BNSAXEWTTKGFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-7-16(8-5-11-18-16)14(21)17-12-10-15(2,3)9-6-13(19)20/h18H,4-12H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid?
4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.31, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 106975362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).