(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide

C11H16N2O2 — CID 71428233

IUPAC(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
SMILESC[C@H](N)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-8(12)10(14)11(15)13-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7,12H2,1H3,(H,13,15)/t8-,10-/m0/s1
InChIKeyQYFBXGQDDJBPIX-WPRPVWTQSA-N
MW208.26 g/mol
LogP0.01
Rot. Bonds4

About (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide

(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide (PubChem CID 71428233) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
PubChem CID71428233
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
SMILESC[C@H](N)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-8(12)10(14)11(15)13-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7,12H2,1H3,(H,13,15)/t8-,10-/m0/s1
InChIKeyQYFBXGQDDJBPIX-WPRPVWTQSA-N
XLogP0.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
2,3-diamino-N-benzylbutanamide
CID 143155055
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
CID 59636946
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
CID 142265085
(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
CID 131737762
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
2-amino-N-benzylpentanamide
CID 11020044

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide?
The IUPAC name of (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide (CID 71428233) is (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide.
What is the SMILES notation for (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide?
The canonical SMILES for (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide is C[C@H](N)[C@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide?
The InChIKey is QYFBXGQDDJBPIX-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(12)10(14)11(15)13-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7,12H2,1H3,(H,13,15)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide?
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide has a molecular weight of 208.26 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide is sourced from PubChem (CID 71428233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).