(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid

C6H11N3O3 — CID 119098074

IUPAC(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid
SMILESCC(C)/C(=N\NC(N)=O)C(=O)O
InChIInChI=1S/C6H11N3O3/c1-3(2)4(5(10)11)8-9-6(7)12/h3H,1-2H3,(H,10,11)(H3,7,9,12)/b8-4+
InChIKeyVOJLTZFUPNNRQM-XBXARRHUSA-N
MW173.17 g/mol
LogP-0.25
Rot. Bonds3

About (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid

(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid (PubChem CID 119098074) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid
PubChem CID119098074
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid
SMILESCC(C)/C(=N\NC(N)=O)C(=O)O
InChIInChI=1S/C6H11N3O3/c1-3(2)4(5(10)11)8-9-6(7)12/h3H,1-2H3,(H,10,11)(H3,7,9,12)/b8-4+
InChIKeyVOJLTZFUPNNRQM-XBXARRHUSA-N
XLogP-0.25
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
(1-aminoethylideneamino)urea
CID 85436939
[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea
CID 5380500
(diaminomethylideneamino)urea;hydrochloride
CID 87522234
(6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid
CID 121220092
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
3-bromo-2-(carbamoylhydrazinylidene)propanoic acid
CID 175439457
(2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid
CID 6070737
(3-hydroxyiminobutan-2-ylideneamino)urea
CID 137209965
[1-(4-propan-2-ylphenyl)propan-2-ylideneamino]urea
CID 165344708
(1E)-N-(carbamoylamino)ethanimidoyl cyanide
CID 55281069

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid?
The IUPAC name of (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid (CID 119098074) is (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid.
What is the SMILES notation for (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid?
The canonical SMILES for (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid is CC(C)/C(=N\NC(N)=O)C(=O)O.
What is the InChIKey of (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid?
The InChIKey is VOJLTZFUPNNRQM-XBXARRHUSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-3(2)4(5(10)11)8-9-6(7)12/h3H,1-2H3,(H,10,11)(H3,7,9,12)/b8-4+.
What are the key properties of (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid?
(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid is sourced from PubChem (CID 119098074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).