[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea

C6H14N4O2 — CID 91973991

IUPAC[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)[C@H](NC(N)=O)C(=O)NN
InChIInChI=1S/C6H14N4O2/c1-3(2)4(5(11)10-8)9-6(7)12/h3-4H,8H2,1-2H3,(H,10,11)(H3,7,9,12)/t4-/m0/s1
InChIKeyUFMDKEBXQDSTBS-BYPYZUCNSA-N
MW174.20 g/mol
LogP-1.33
Rot. Bonds3

About [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea

[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea (PubChem CID 91973991) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
PubChem CID91973991
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)[C@H](NC(N)=O)C(=O)NN
InChIInChI=1S/C6H14N4O2/c1-3(2)4(5(11)10-8)9-6(7)12/h3-4H,8H2,1-2H3,(H,10,11)(H3,7,9,12)/t4-/m0/s1
InChIKeyUFMDKEBXQDSTBS-BYPYZUCNSA-N
XLogP-1.33
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.33
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'}

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Related Compounds

2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
CID 104981125
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 43357852
(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 2085394
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide
CID 104931679
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea?
The IUPAC name of [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea (CID 91973991) is [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea is CC(C)[C@H](NC(N)=O)C(=O)NN.
What is the InChIKey of [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea?
The InChIKey is UFMDKEBXQDSTBS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-3(2)4(5(11)10-8)9-6(7)12/h3-4H,8H2,1-2H3,(H,10,11)(H3,7,9,12)/t4-/m0/s1.
What are the key properties of [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea?
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea has a molecular weight of 174.20 g/mol, XLogP of -1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 91973991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).