(2Z)-2-(carbamoylhydrazinylidene)propanoic acid

C4H7N3O3 — CID 5484325

IUPAC(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
SMILESC/C(=N/NC(N)=O)C(=O)O
InChIInChI=1S/C4H7N3O3/c1-2(3(8)9)6-7-4(5)10/h1H3,(H,8,9)(H3,5,7,10)/b6-2-
InChIKeyMGIAKYQGSBSNMG-KXFIGUGUSA-N
MW145.12 g/mol
LogP-0.88
Rot. Bonds2

About (2Z)-2-(carbamoylhydrazinylidene)propanoic acid

(2Z)-2-(carbamoylhydrazinylidene)propanoic acid (PubChem CID 5484325) has the molecular formula C4H7N3O3 and a molecular weight of 145.12 g/mol. Its IUPAC name is (2Z)-2-(carbamoylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
PubChem CID5484325
Molecular FormulaC4H7N3O3
Molecular Weight145.12 g/mol
Exact Mass145.05
IUPAC Name(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
SMILESC/C(=N/NC(N)=O)C(=O)O
InChIInChI=1S/C4H7N3O3/c1-2(3(8)9)6-7-4(5)10/h1H3,(H,8,9)(H3,5,7,10)/b6-2-
InChIKeyMGIAKYQGSBSNMG-KXFIGUGUSA-N
XLogP-0.88
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 5-0.88
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(carbamoylhydrazinylidene)propanoic acid?
The IUPAC name of (2Z)-2-(carbamoylhydrazinylidene)propanoic acid (CID 5484325) is (2Z)-2-(carbamoylhydrazinylidene)propanoic acid.
What is the SMILES notation for (2Z)-2-(carbamoylhydrazinylidene)propanoic acid?
The canonical SMILES for (2Z)-2-(carbamoylhydrazinylidene)propanoic acid is C/C(=N/NC(N)=O)C(=O)O.
What is the InChIKey of (2Z)-2-(carbamoylhydrazinylidene)propanoic acid?
The InChIKey is MGIAKYQGSBSNMG-KXFIGUGUSA-N. The full InChI is InChI=1S/C4H7N3O3/c1-2(3(8)9)6-7-4(5)10/h1H3,(H,8,9)(H3,5,7,10)/b6-2-.
What are the key properties of (2Z)-2-(carbamoylhydrazinylidene)propanoic acid?
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid has a molecular weight of 145.12 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(carbamoylhydrazinylidene)propanoic acid is sourced from PubChem (CID 5484325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).