(2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid

C19H23NO3 — CID 15458659

IUPAC(2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid
SMILESCC[C@H](O)[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO3/c1-2-17(21)18(19(22)23)20(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17-18,21H,2,13-14H2,1H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyNGEHJLSSVNOREQ-ZWKOTPCHSA-N
MW313.40 g/mol
LogP2.91
Rot. Bonds8

About (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid

(2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid (PubChem CID 15458659) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid
PubChem CID15458659
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid
SMILESCC[C@H](O)[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO3/c1-2-17(21)18(19(22)23)20(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17-18,21H,2,13-14H2,1H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyNGEHJLSSVNOREQ-ZWKOTPCHSA-N
XLogP2.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-2-(dibenzylamino)-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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid?
The IUPAC name of (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid (CID 15458659) is (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid.
What is the SMILES notation for (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid?
The canonical SMILES for (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid is CC[C@H](O)[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid?
The InChIKey is NGEHJLSSVNOREQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-17(21)18(19(22)23)20(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17-18,21H,2,13-14H2,1H3,(H,22,23)/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid?
(2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid has a molecular weight of 313.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(dibenzylamino)-3-hydroxypentanoic acid is sourced from PubChem (CID 15458659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).