(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide

C23H30N2O5 — CID 134544727

IUPAC(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
SMILESCN(C(=O)[C@@H](N)[C@H](O)[C@H]1COC(C)(C)O1)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C23H30N2O5/c1-23(2)29-14-17(30-23)21(27)18(24)22(28)25(3)19(15-10-6-4-7-11-15)20(26)16-12-8-5-9-13-16/h4-13,17-21,26-27H,14,24H2,1-3H3/t17-,18+,19-,20-,21-/m1/s1
InChIKeyQJLXHIGGDCJNSO-FDKIHUSFSA-N
MW414.50 g/mol
LogP1.76
Rot. Bonds7

About (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide

(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide (PubChem CID 134544727) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
PubChem CID134544727
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
SMILESCN(C(=O)[C@@H](N)[C@H](O)[C@H]1COC(C)(C)O1)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C23H30N2O5/c1-23(2)29-14-17(30-23)21(27)18(24)22(28)25(3)19(15-10-6-4-7-11-15)20(26)16-12-8-5-9-13-16/h4-13,17-21,26-27H,14,24H2,1-3H3/t17-,18+,19-,20-,21-/m1/s1
InChIKeyQJLXHIGGDCJNSO-FDKIHUSFSA-N
XLogP1.76
TPSA105.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide 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,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide?
The IUPAC name of (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide (CID 134544727) is (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide?
The canonical SMILES for (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide is CN(C(=O)[C@@H](N)[C@H](O)[C@H]1COC(C)(C)O1)[C@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide?
The InChIKey is QJLXHIGGDCJNSO-FDKIHUSFSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-23(2)29-14-17(30-23)21(27)18(24)22(28)25(3)19(15-10-6-4-7-11-15)20(26)16-12-8-5-9-13-16/h4-13,17-21,26-27H,14,24H2,1-3H3/t17-,18+,19-,20-,21-/m1/s1.
What are the key properties of (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide?
(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide has a molecular weight of 414.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide is sourced from PubChem (CID 134544727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).