(2S)-2-(dibenzylamino)-4-methylpentanoic acid

C20H25NO2 — CID 824375

IUPAC(2S)-2-(dibenzylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(2)13-19(20(22)23)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyFSACAIPYCHIDCK-IBGZPJMESA-N
MW311.43 g/mol
LogP4.19
Rot. Bonds8

About (2S)-2-(dibenzylamino)-4-methylpentanoic acid

(2S)-2-(dibenzylamino)-4-methylpentanoic acid (PubChem CID 824375) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-4-methylpentanoic acid
PubChem CID824375
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(dibenzylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(2)13-19(20(22)23)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyFSACAIPYCHIDCK-IBGZPJMESA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(dibenzylamino)-4-methylpentanoic 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 (2S)-2-(dibenzylamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(dibenzylamino)-4-methylpentanoic acid (CID 824375) is (2S)-2-(dibenzylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(dibenzylamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(dibenzylamino)-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-4-methylpentanoic acid?
The InChIKey is FSACAIPYCHIDCK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(2)13-19(20(22)23)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-4-methylpentanoic acid?
(2S)-2-(dibenzylamino)-4-methylpentanoic acid has a molecular weight of 311.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-4-methylpentanoic acid is sourced from PubChem (CID 824375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).