2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide

C12H19N3O2 — CID 26416444

IUPAC2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)CC(=O)NN
InChIInChI=1S/C12H19N3O2/c1-9(15(2)8-11(16)14-13)12(17)10-6-4-3-5-7-10/h3-7,9,12,17H,8,13H2,1-2H3,(H,14,16)/t9-,12-/m1/s1
InChIKeyUYRZIWLNPXQWFD-BXKDBHETSA-N
MW237.30 g/mol
LogP0.03
Rot. Bonds5

About 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide

2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide (PubChem CID 26416444) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide.

Molecular Properties

Compound Name2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide
PubChem CID26416444
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)CC(=O)NN
InChIInChI=1S/C12H19N3O2/c1-9(15(2)8-11(16)14-13)12(17)10-6-4-3-5-7-10/h3-7,9,12,17H,8,13H2,1-2H3,(H,14,16)/t9-,12-/m1/s1
InChIKeyUYRZIWLNPXQWFD-BXKDBHETSA-N
XLogP0.03
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate
CID 100956994
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-N-(2,4,6-tribromophenyl)acetamide
CID 98083173
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
CID 46900882
(1R,2S)-2-[[(2R)-2-amino-3-methylbutyl]-methylamino]-1-phenylpropan-1-ol
CID 86342127
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide?
The IUPAC name of 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide (CID 26416444) is 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide.
What is the SMILES notation for 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide?
The canonical SMILES for 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide is C[C@H]([C@@H](O)c1ccccc1)N(C)CC(=O)NN.
What is the InChIKey of 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide?
The InChIKey is UYRZIWLNPXQWFD-BXKDBHETSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(15(2)8-11(16)14-13)12(17)10-6-4-3-5-7-10/h3-7,9,12,17H,8,13H2,1-2H3,(H,14,16)/t9-,12-/m1/s1.
What are the key properties of 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide?
2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide is sourced from PubChem (CID 26416444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).