(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide

C11H17N3O2 — CID 71428235

IUPAC(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
SMILESC[C@@H](NN)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C11H17N3O2/c1-8(14-12)10(15)11(16)13-7-9-5-3-2-4-6-9/h2-6,8,10,14-15H,7,12H2,1H3,(H,13,16)/t8-,10+/m1/s1
InChIKeyYNLHOBFZMMBGNA-SCZZXKLOSA-N
MW223.28 g/mol
LogP-0.48
Rot. Bonds5

About (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide

(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide (PubChem CID 71428235) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
PubChem CID71428235
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
SMILESC[C@@H](NN)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C11H17N3O2/c1-8(14-12)10(15)11(16)13-7-9-5-3-2-4-6-9/h2-6,8,10,14-15H,7,12H2,1H3,(H,13,16)/t8-,10+/m1/s1
InChIKeyYNLHOBFZMMBGNA-SCZZXKLOSA-N
XLogP-0.48
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
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
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
CID 142265085
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide
CID 70953139
(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
CID 131737762

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide?
The IUPAC name of (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide (CID 71428235) is (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide?
The canonical SMILES for (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide is C[C@@H](NN)[C@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide?
The InChIKey is YNLHOBFZMMBGNA-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(14-12)10(15)11(16)13-7-9-5-3-2-4-6-9/h2-6,8,10,14-15H,7,12H2,1H3,(H,13,16)/t8-,10+/m1/s1.
What are the key properties of (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide?
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide has a molecular weight of 223.28 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide is sourced from PubChem (CID 71428235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).