2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid

C13H24N2O3 — CID 106980822

IUPAC2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)C1(C(C)C)CCNC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-10(11(16)17)7-15-12(18)13(9(2)3)5-6-14-8-13/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOWDCOOKCIFTRLM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.85
Rot. Bonds6

About 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid

2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 106980822) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
PubChem CID106980822
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)C1(C(C)C)CCNC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-10(11(16)17)7-15-12(18)13(9(2)3)5-6-14-8-13/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOWDCOOKCIFTRLM-UHFFFAOYSA-N
XLogP0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic 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 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid (CID 106980822) is 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)C1(C(C)C)CCNC1)C(=O)O.
What is the InChIKey of 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is OWDCOOKCIFTRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10(11(16)17)7-15-12(18)13(9(2)3)5-6-14-8-13/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid?
2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 106980822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).