(2S)-2-(dibenzylamino)-3-methylbutanoic acid

C19H23NO2 — CID 14945374

IUPAC(2S)-2-(dibenzylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(2)18(19(21)22)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyDIDSUCIWERDHBV-SFHVURJKSA-N
MW297.40 g/mol
LogP3.80
Rot. Bonds7

About (2S)-2-(dibenzylamino)-3-methylbutanoic acid

(2S)-2-(dibenzylamino)-3-methylbutanoic acid (PubChem CID 14945374) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-3-methylbutanoic acid
PubChem CID14945374
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-2-(dibenzylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(2)18(19(21)22)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyDIDSUCIWERDHBV-SFHVURJKSA-N
XLogP3.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(dibenzylamino)-3-methylbutanoic 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)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(dibenzylamino)-3-methylbutanoic acid (CID 14945374) is (2S)-2-(dibenzylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(dibenzylamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(dibenzylamino)-3-methylbutanoic acid is CC(C)[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-3-methylbutanoic acid?
The InChIKey is DIDSUCIWERDHBV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(2)18(19(21)22)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-3-methylbutanoic acid?
(2S)-2-(dibenzylamino)-3-methylbutanoic acid has a molecular weight of 297.40 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-3-methylbutanoic acid is sourced from PubChem (CID 14945374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).