(2R)-2-(dibenzylamino)butanoic acid

C18H21NO2 — CID 141083038

IUPAC(2R)-2-(dibenzylamino)butanoic acid
SMILESCC[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-17(18(20)21)19(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyXRYYKUIXJOECCX-QGZVFWFLSA-N
MW283.37 g/mol
LogP3.55
Rot. Bonds7

About (2R)-2-(dibenzylamino)butanoic acid

(2R)-2-(dibenzylamino)butanoic acid (PubChem CID 141083038) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)butanoic acid
PubChem CID141083038
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-(dibenzylamino)butanoic acid
SMILESCC[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-17(18(20)21)19(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyXRYYKUIXJOECCX-QGZVFWFLSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(dibenzylamino)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

Related Compounds

2-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoic acid
CID 115536693
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
CID 10925962
2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 174607975
(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid
CID 67573864
2-[(3-aminophenyl)methyl-propylamino]butanoic acid
CID 64660954
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
(2S)-2-[ethyl-[(2-methylphenyl)methyl]amino]butanoic acid
CID 129401479
2-[benzyl-[[3-[2-(3-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]amino]butanoic acid
CID 91547279
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)butanoic acid?
The IUPAC name of (2R)-2-(dibenzylamino)butanoic acid (CID 141083038) is (2R)-2-(dibenzylamino)butanoic acid.
What is the SMILES notation for (2R)-2-(dibenzylamino)butanoic acid?
The canonical SMILES for (2R)-2-(dibenzylamino)butanoic acid is CC[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)butanoic acid?
The InChIKey is XRYYKUIXJOECCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-17(18(20)21)19(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)butanoic acid?
(2R)-2-(dibenzylamino)butanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)butanoic acid is sourced from PubChem (CID 141083038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).