4-[carbamohydrazonoyl(methyl)amino]butanoic acid

C6H14N4O2 — CID 57260967

IUPAC4-[carbamohydrazonoyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(N)=NN
InChIInChI=1S/C6H14N4O2/c1-10(6(7)9-8)4-2-3-5(11)12/h2-4,8H2,1H3,(H2,7,9)(H,11,12)
InChIKeyZCHFRNYEZBYDIS-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.03
Rot. Bonds4

About 4-[carbamohydrazonoyl(methyl)amino]butanoic acid

4-[carbamohydrazonoyl(methyl)amino]butanoic acid (PubChem CID 57260967) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-[carbamohydrazonoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[carbamohydrazonoyl(methyl)amino]butanoic acid
PubChem CID57260967
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name4-[carbamohydrazonoyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(N)=NN
InChIInChI=1S/C6H14N4O2/c1-10(6(7)9-8)4-2-3-5(11)12/h2-4,8H2,1H3,(H2,7,9)(H,11,12)
InChIKeyZCHFRNYEZBYDIS-UHFFFAOYSA-N
XLogP-1.03
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-[carbamohydrazonoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[carbamohydrazonoyl(methyl)amino]butanoic acid (CID 57260967) is 4-[carbamohydrazonoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[carbamohydrazonoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[carbamohydrazonoyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(N)=NN.
What is the InChIKey of 4-[carbamohydrazonoyl(methyl)amino]butanoic acid?
The InChIKey is ZCHFRNYEZBYDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-10(6(7)9-8)4-2-3-5(11)12/h2-4,8H2,1H3,(H2,7,9)(H,11,12).
What are the key properties of 4-[carbamohydrazonoyl(methyl)amino]butanoic acid?
4-[carbamohydrazonoyl(methyl)amino]butanoic acid has a molecular weight of 174.20 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[carbamohydrazonoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 57260967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).