[amino(carbamoyloxy)methyl] carbamate

C3H7N3O4 — CID 87689062

IUPAC[amino(carbamoyloxy)methyl] carbamate
SMILESNC(=O)OC(N)OC(N)=O
InChIInChI=1S/C3H7N3O4/c4-1(7)9-3(6)10-2(5)8/h3H,6H2,(H2,4,7)(H2,5,8)
InChIKeyRUPITZJCZHXCON-UHFFFAOYSA-N
MW149.11 g/mol
LogP-1.58
Rot. Bonds2

About [amino(carbamoyloxy)methyl] carbamate

[amino(carbamoyloxy)methyl] carbamate (PubChem CID 87689062) has the molecular formula C3H7N3O4 and a molecular weight of 149.11 g/mol. Its IUPAC name is [amino(carbamoyloxy)methyl] carbamate.

Molecular Properties

Compound Name[amino(carbamoyloxy)methyl] carbamate
PubChem CID87689062
Molecular FormulaC3H7N3O4
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Name[amino(carbamoyloxy)methyl] carbamate
SMILESNC(=O)OC(N)OC(N)=O
InChIInChI=1S/C3H7N3O4/c4-1(7)9-3(6)10-2(5)8/h3H,6H2,(H2,4,7)(H2,5,8)
InChIKeyRUPITZJCZHXCON-UHFFFAOYSA-N
XLogP-1.58
TPSA130.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(carbamoyloxy)methyl] carbamate?
The IUPAC name of [amino(carbamoyloxy)methyl] carbamate (CID 87689062) is [amino(carbamoyloxy)methyl] carbamate.
What is the SMILES notation for [amino(carbamoyloxy)methyl] carbamate?
The canonical SMILES for [amino(carbamoyloxy)methyl] carbamate is NC(=O)OC(N)OC(N)=O.
What is the InChIKey of [amino(carbamoyloxy)methyl] carbamate?
The InChIKey is RUPITZJCZHXCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O4/c4-1(7)9-3(6)10-2(5)8/h3H,6H2,(H2,4,7)(H2,5,8).
What are the key properties of [amino(carbamoyloxy)methyl] carbamate?
[amino(carbamoyloxy)methyl] carbamate has a molecular weight of 149.11 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(carbamoyloxy)methyl] carbamate is sourced from PubChem (CID 87689062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).