2-amino-2,3-dibenzyl-3-hydroxypentanoic acid

C19H23NO3 — CID 174549992

IUPAC2-amino-2,3-dibenzyl-3-hydroxypentanoic acid
SMILESCCC(O)(Cc1ccccc1)C(N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO3/c1-2-18(23,13-15-9-5-3-6-10-15)19(20,17(21)22)14-16-11-7-4-8-12-16/h3-12,23H,2,13-14,20H2,1H3,(H,21,22)
InChIKeyYHGWDGAMGPDOLO-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.39
Rot. Bonds7

About 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid

2-amino-2,3-dibenzyl-3-hydroxypentanoic acid (PubChem CID 174549992) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid.

Molecular Properties

Compound Name2-amino-2,3-dibenzyl-3-hydroxypentanoic acid
PubChem CID174549992
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-amino-2,3-dibenzyl-3-hydroxypentanoic acid
SMILESCCC(O)(Cc1ccccc1)C(N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO3/c1-2-18(23,13-15-9-5-3-6-10-15)19(20,17(21)22)14-16-11-7-4-8-12-16/h3-12,23H,2,13-14,20H2,1H3,(H,21,22)
InChIKeyYHGWDGAMGPDOLO-UHFFFAOYSA-N
XLogP2.39
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-2,3-dibenzyl-3-hydroxypentanoic 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-hydroxybutanoic acid
CID 22013212
2-amino-2-benzylpentanoic acid
CID 24974249
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-amino-2-benzyl-3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 170438591
ethyl (2S)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 56840522
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride
CID 174967849
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
ethyl 2-amino-2-benzylbutanoate
CID 10857051

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid?
The IUPAC name of 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid (CID 174549992) is 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid.
What is the SMILES notation for 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid?
The canonical SMILES for 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid is CCC(O)(Cc1ccccc1)C(N)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid?
The InChIKey is YHGWDGAMGPDOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-18(23,13-15-9-5-3-6-10-15)19(20,17(21)22)14-16-11-7-4-8-12-16/h3-12,23H,2,13-14,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid?
2-amino-2,3-dibenzyl-3-hydroxypentanoic acid has a molecular weight of 313.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dibenzyl-3-hydroxypentanoic acid is sourced from PubChem (CID 174549992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).