[(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid

C8H17N3O3 — CID 174157890

IUPAC[(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid
SMILESCC(C)C[C@@H](CC(=O)NN)NC(=O)O
InChIInChI=1S/C8H17N3O3/c1-5(2)3-6(10-8(13)14)4-7(12)11-9/h5-6,10H,3-4,9H2,1-2H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyBUFYWVGKQFMTIZ-LURJTMIESA-N
MW203.24 g/mol
LogP0.05
Rot. Bonds5

About [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid

[(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid (PubChem CID 174157890) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid
PubChem CID174157890
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name[(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid
SMILESCC(C)C[C@@H](CC(=O)NN)NC(=O)O
InChIInChI=1S/C8H17N3O3/c1-5(2)3-6(10-8(13)14)4-7(12)11-9/h5-6,10H,3-4,9H2,1-2H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyBUFYWVGKQFMTIZ-LURJTMIESA-N
XLogP0.05
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

Analyze [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(carboxyamino)-5-methylhexanoic acid
CID 174574418
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
(1-azido-4-methylpentan-2-yl)carbamic acid
CID 174780180
3-phosphanylbutanehydrazide
CID 163485274
(4R)-4-acetamido-6-methyl-2-oxoheptanoic acid
CID 165355470
3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
CID 87665575
3-[2-methylpropyl(propan-2-yl)amino]butanehydrazide
CID 63579651
(3R)-3-(decanoylamino)-5-methylhexanoic acid
CID 10380017
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
3-formamido-5-methylhexanoic acid
CID 83618480

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid (CID 174157890) is [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid is CC(C)C[C@@H](CC(=O)NN)NC(=O)O.
What is the InChIKey of [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid?
The InChIKey is BUFYWVGKQFMTIZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(2)3-6(10-8(13)14)4-7(12)11-9/h5-6,10H,3-4,9H2,1-2H3,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid?
[(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid has a molecular weight of 203.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid is sourced from PubChem (CID 174157890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).