2-chloro-3-hydrazinylbutanedioic acid

C4H7ClN2O4 — CID 74036786

IUPAC2-chloro-3-hydrazinylbutanedioic acid
SMILESNNC(C(=O)O)C(Cl)C(=O)O
InChIInChI=1S/C4H7ClN2O4/c5-1(3(8)9)2(7-6)4(10)11/h1-2,7H,6H2,(H,8,9)(H,10,11)
InChIKeyGWLHLYRBOKYJEU-UHFFFAOYSA-N
MW182.56 g/mol
LogP-1.41
Rot. Bonds4

About 2-chloro-3-hydrazinylbutanedioic acid

2-chloro-3-hydrazinylbutanedioic acid (PubChem CID 74036786) has the molecular formula C4H7ClN2O4 and a molecular weight of 182.56 g/mol. Its IUPAC name is 2-chloro-3-hydrazinylbutanedioic acid.

Molecular Properties

Compound Name2-chloro-3-hydrazinylbutanedioic acid
PubChem CID74036786
Molecular FormulaC4H7ClN2O4
Molecular Weight182.56 g/mol
Exact Mass182.01
IUPAC Name2-chloro-3-hydrazinylbutanedioic acid
SMILESNNC(C(=O)O)C(Cl)C(=O)O
InChIInChI=1S/C4H7ClN2O4/c5-1(3(8)9)2(7-6)4(10)11/h1-2,7H,6H2,(H,8,9)(H,10,11)
InChIKeyGWLHLYRBOKYJEU-UHFFFAOYSA-N
XLogP-1.41
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.56
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-chloro-3-hydrazinylbutanedioic acid?
The IUPAC name of 2-chloro-3-hydrazinylbutanedioic acid (CID 74036786) is 2-chloro-3-hydrazinylbutanedioic acid.
What is the SMILES notation for 2-chloro-3-hydrazinylbutanedioic acid?
The canonical SMILES for 2-chloro-3-hydrazinylbutanedioic acid is NNC(C(=O)O)C(Cl)C(=O)O.
What is the InChIKey of 2-chloro-3-hydrazinylbutanedioic acid?
The InChIKey is GWLHLYRBOKYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2O4/c5-1(3(8)9)2(7-6)4(10)11/h1-2,7H,6H2,(H,8,9)(H,10,11).
What are the key properties of 2-chloro-3-hydrazinylbutanedioic acid?
2-chloro-3-hydrazinylbutanedioic acid has a molecular weight of 182.56 g/mol, XLogP of -1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hydrazinylbutanedioic acid is sourced from PubChem (CID 74036786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).