[2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate

C6H12N4O4 — CID 175450824

IUPAC[2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate
SMILESNC(=O)CCNNC(=O)COC(N)=O
InChIInChI=1S/C6H12N4O4/c7-4(11)1-2-9-10-5(12)3-14-6(8)13/h9H,1-3H2,(H2,7,11)(H2,8,13)(H,10,12)
InChIKeyHMDUTDGJOKTGHE-UHFFFAOYSA-N
MW204.19 g/mol
LogP-2.42
Rot. Bonds6

About [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate

[2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate (PubChem CID 175450824) has the molecular formula C6H12N4O4 and a molecular weight of 204.19 g/mol. Its IUPAC name is [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate.

Molecular Properties

Compound Name[2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate
PubChem CID175450824
Molecular FormulaC6H12N4O4
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name[2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate
SMILESNC(=O)CCNNC(=O)COC(N)=O
InChIInChI=1S/C6H12N4O4/c7-4(11)1-2-9-10-5(12)3-14-6(8)13/h9H,1-3H2,(H2,7,11)(H2,8,13)(H,10,12)
InChIKeyHMDUTDGJOKTGHE-UHFFFAOYSA-N
XLogP-2.42
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate?
The IUPAC name of [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate (CID 175450824) is [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate.
What is the SMILES notation for [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate?
The canonical SMILES for [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate is NC(=O)CCNNC(=O)COC(N)=O.
What is the InChIKey of [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate?
The InChIKey is HMDUTDGJOKTGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O4/c7-4(11)1-2-9-10-5(12)3-14-6(8)13/h9H,1-3H2,(H2,7,11)(H2,8,13)(H,10,12).
What are the key properties of [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate?
[2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate has a molecular weight of 204.19 g/mol, XLogP of -2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-amino-3-oxopropyl)hydrazinyl]-2-oxoethyl] carbamate is sourced from PubChem (CID 175450824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).