carbamoyl 2-hydrazinylacetate

C3H7N3O3 — CID 174614765

IUPACcarbamoyl 2-hydrazinylacetate
SMILESNNCC(=O)OC(N)=O
InChIInChI=1S/C3H7N3O3/c4-3(8)9-2(7)1-6-5/h6H,1,5H2,(H2,4,8)
InChIKeyQYTSCAZPMDMREX-UHFFFAOYSA-N
MW133.11 g/mol
LogP-1.93
Rot. Bonds2

About carbamoyl 2-hydrazinylacetate

carbamoyl 2-hydrazinylacetate (PubChem CID 174614765) has the molecular formula C3H7N3O3 and a molecular weight of 133.11 g/mol. Its IUPAC name is carbamoyl 2-hydrazinylacetate.

Molecular Properties

Compound Namecarbamoyl 2-hydrazinylacetate
PubChem CID174614765
Molecular FormulaC3H7N3O3
Molecular Weight133.11 g/mol
Exact Mass133.05
IUPAC Namecarbamoyl 2-hydrazinylacetate
SMILESNNCC(=O)OC(N)=O
InChIInChI=1S/C3H7N3O3/c4-3(8)9-2(7)1-6-5/h6H,1,5H2,(H2,4,8)
InChIKeyQYTSCAZPMDMREX-UHFFFAOYSA-N
XLogP-1.93
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbamohydrazonoyl 2-hydrazinylacetate
CID 173301303
ethane;methyl 2-hydrazinylacetate
CID 170593077
4-O-carbamoyl 1-O-methyl butanedioate
CID 175302695
carbamoyl carbamate;dihydrochloride
CID 175326234
5-carbamoyloxy-5-oxopentanoic acid
CID 175080564
1-hydrazinylpropan-2-one
CID 18717161
2-hydrazinylacetyl chloride
CID 151739181
bis(3-amino-3-oxopropanoyl) oxalate
CID 174616357
carbamoyl 3-phenylpropanoate
CID 56614916
3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine
CID 174622703
carbamoyl acetate;manganese
CID 160559412
carbamimidoyl 2-acetamidoacetate
CID 141431233

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2-hydrazinylacetate?
The IUPAC name of carbamoyl 2-hydrazinylacetate (CID 174614765) is carbamoyl 2-hydrazinylacetate.
What is the SMILES notation for carbamoyl 2-hydrazinylacetate?
The canonical SMILES for carbamoyl 2-hydrazinylacetate is NNCC(=O)OC(N)=O.
What is the InChIKey of carbamoyl 2-hydrazinylacetate?
The InChIKey is QYTSCAZPMDMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O3/c4-3(8)9-2(7)1-6-5/h6H,1,5H2,(H2,4,8).
What are the key properties of carbamoyl 2-hydrazinylacetate?
carbamoyl 2-hydrazinylacetate has a molecular weight of 133.11 g/mol, XLogP of -1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2-hydrazinylacetate is sourced from PubChem (CID 174614765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).