N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide

C12H17N3O3 — CID 11149400

IUPACN-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide
SMILESC[C@@H](O)[C@H](CNC(=O)c1ccccc1)C(=O)NN
InChIInChI=1S/C12H17N3O3/c1-8(16)10(12(18)15-13)7-14-11(17)9-5-3-2-4-6-9/h2-6,8,10,16H,7,13H2,1H3,(H,14,17)(H,15,18)/t8-,10+/m1/s1
InChIKeyXPIWMBVCPHNRBP-SCZZXKLOSA-N
MW251.29 g/mol
LogP-0.60
Rot. Bonds5

About N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide

N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide (PubChem CID 11149400) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide
PubChem CID11149400
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide
SMILESC[C@@H](O)[C@H](CNC(=O)c1ccccc1)C(=O)NN
InChIInChI=1S/C12H17N3O3/c1-8(16)10(12(18)15-13)7-14-11(17)9-5-3-2-4-6-9/h2-6,8,10,16H,7,13H2,1H3,(H,14,17)(H,15,18)/t8-,10+/m1/s1
InChIKeyXPIWMBVCPHNRBP-SCZZXKLOSA-N
XLogP-0.60
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
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

ethyl (3S)-2-(benzamidomethyl)-3-hydroxy-3-phenylpropanoate
CID 102585176
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
phenyl (2S,3R)-3-hydroxy-2-[(pyridine-3-carbonylamino)methyl]butanoate
CID 164711213
4-benzamido-3-methylbutanoic acid
CID 81064617
(2S,3S)-2-(benzamidomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 68982145
benzohydrazide;propane
CID 90709051
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
benzohydrazide;molybdenum
CID 162076561
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-(2-bromo-4-methylpentyl)benzamide
CID 107157861

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide?
The IUPAC name of N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide (CID 11149400) is N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide.
What is the SMILES notation for N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide?
The canonical SMILES for N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide is C[C@@H](O)[C@H](CNC(=O)c1ccccc1)C(=O)NN.
What is the InChIKey of N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide?
The InChIKey is XPIWMBVCPHNRBP-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(16)10(12(18)15-13)7-14-11(17)9-5-3-2-4-6-9/h2-6,8,10,16H,7,13H2,1H3,(H,14,17)(H,15,18)/t8-,10+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide?
N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide has a molecular weight of 251.29 g/mol, XLogP of -0.60, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(hydrazinecarbonyl)-3-hydroxybutyl]benzamide is sourced from PubChem (CID 11149400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).