hydrazinyl(2-oxoethyl)carbamic acid

C3H7N3O3 — CID 87761818

IUPAChydrazinyl(2-oxoethyl)carbamic acid
SMILESNNN(CC=O)C(=O)O
InChIInChI=1S/C3H7N3O3/c4-5-6(1-2-7)3(8)9/h2,5H,1,4H2,(H,8,9)
InChIKeyZXVOPGNGVMBRCL-UHFFFAOYSA-N
MW133.11 g/mol
LogP-1.46
Rot. Bonds3

About hydrazinyl(2-oxoethyl)carbamic acid

hydrazinyl(2-oxoethyl)carbamic acid (PubChem CID 87761818) has the molecular formula C3H7N3O3 and a molecular weight of 133.11 g/mol. Its IUPAC name is hydrazinyl(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Namehydrazinyl(2-oxoethyl)carbamic acid
PubChem CID87761818
Molecular FormulaC3H7N3O3
Molecular Weight133.11 g/mol
Exact Mass133.05
IUPAC Namehydrazinyl(2-oxoethyl)carbamic acid
SMILESNNN(CC=O)C(=O)O
InChIInChI=1S/C3H7N3O3/c4-5-6(1-2-7)3(8)9/h2,5H,1,4H2,(H,8,9)
InChIKeyZXVOPGNGVMBRCL-UHFFFAOYSA-N
XLogP-1.46
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 hydrazinyl(2-oxoethyl)carbamic acid?
The IUPAC name of hydrazinyl(2-oxoethyl)carbamic acid (CID 87761818) is hydrazinyl(2-oxoethyl)carbamic acid.
What is the SMILES notation for hydrazinyl(2-oxoethyl)carbamic acid?
The canonical SMILES for hydrazinyl(2-oxoethyl)carbamic acid is NNN(CC=O)C(=O)O.
What is the InChIKey of hydrazinyl(2-oxoethyl)carbamic acid?
The InChIKey is ZXVOPGNGVMBRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O3/c4-5-6(1-2-7)3(8)9/h2,5H,1,4H2,(H,8,9).
What are the key properties of hydrazinyl(2-oxoethyl)carbamic acid?
hydrazinyl(2-oxoethyl)carbamic acid has a molecular weight of 133.11 g/mol, XLogP of -1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl(2-oxoethyl)carbamic acid is sourced from PubChem (CID 87761818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).