(2-hydrazinyl-1-oxopropan-2-yl)carbamic acid

C4H9N3O3 — CID 90220114

IUPAC(2-hydrazinyl-1-oxopropan-2-yl)carbamic acid
SMILESCC(C=O)(NN)NC(=O)O
InChIInChI=1S/C4H9N3O3/c1-4(2-8,7-5)6-3(9)10/h2,6-7H,5H2,1H3,(H,9,10)
InChIKeyAVZJEQACPXAFPG-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.37
Rot. Bonds3

About (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid

(2-hydrazinyl-1-oxopropan-2-yl)carbamic acid (PubChem CID 90220114) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(2-hydrazinyl-1-oxopropan-2-yl)carbamic acid
PubChem CID90220114
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name(2-hydrazinyl-1-oxopropan-2-yl)carbamic acid
SMILESCC(C=O)(NN)NC(=O)O
InChIInChI=1S/C4H9N3O3/c1-4(2-8,7-5)6-3(9)10/h2,6-7H,5H2,1H3,(H,9,10)
InChIKeyAVZJEQACPXAFPG-UHFFFAOYSA-N
XLogP-1.37
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-hydrazinyl-1-oxopropan-2-yl)carbamic acid?
The IUPAC name of (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid (CID 90220114) is (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid.
What is the SMILES notation for (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid?
The canonical SMILES for (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid is CC(C=O)(NN)NC(=O)O.
What is the InChIKey of (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid?
The InChIKey is AVZJEQACPXAFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-4(2-8,7-5)6-3(9)10/h2,6-7H,5H2,1H3,(H,9,10).
What are the key properties of (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid?
(2-hydrazinyl-1-oxopropan-2-yl)carbamic acid has a molecular weight of 147.13 g/mol, XLogP of -1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-1-oxopropan-2-yl)carbamic acid is sourced from PubChem (CID 90220114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).