(carbamoylamino) N-carbamoylcarbamate

C3H6N4O4 — CID 57474139

IUPAC(carbamoylamino) N-carbamoylcarbamate
SMILESNC(=O)NOC(=O)NC(N)=O
InChIInChI=1S/C3H6N4O4/c4-1(8)6-3(10)11-7-2(5)9/h(H3,5,7,9)(H3,4,6,8,10)
InChIKeyWXBKOSJDXALDKI-UHFFFAOYSA-N
MW162.11 g/mol
LogP-1.63
Rot. Bonds

About (carbamoylamino) N-carbamoylcarbamate

(carbamoylamino) N-carbamoylcarbamate (PubChem CID 57474139) has the molecular formula C3H6N4O4 and a molecular weight of 162.11 g/mol. Its IUPAC name is (carbamoylamino) N-carbamoylcarbamate.

Molecular Properties

Compound Name(carbamoylamino) N-carbamoylcarbamate
PubChem CID57474139
Molecular FormulaC3H6N4O4
Molecular Weight162.11 g/mol
Exact Mass162.04
IUPAC Name(carbamoylamino) N-carbamoylcarbamate
SMILESNC(=O)NOC(=O)NC(N)=O
InChIInChI=1S/C3H6N4O4/c4-1(8)6-3(10)11-7-2(5)9/h(H3,5,7,9)(H3,4,6,8,10)
InChIKeyWXBKOSJDXALDKI-UHFFFAOYSA-N
XLogP-1.63
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydroperoxyurea;hydrate
CID 57429717
ethylsulfanyl N-carbamoylcarbamate
CID 87478497
CID 174966153
CID 174966153
(carbamoylamino) 2,2,2-trifluoroacetate
CID 15556262
3-methylbutyl N-carbamoylcarbamate
CID 3027873
pyridin-1-ium-1-yl N-carbamoylcarbamate
CID 21400932
[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate
CID 121223659
N-(carbamoylcarbamoyl)carbamoyl fluoride
CID 22166147
CID 118590953
CID 118590953
carbamoylcarbamic acid;carbamoylurea
CID 15920414
carbamoylurea;copper;thiourea
CID 175029091
carbamoylurea;fluoroform
CID 174631914

Frequently Asked Questions

What is the IUPAC name of (carbamoylamino) N-carbamoylcarbamate?
The IUPAC name of (carbamoylamino) N-carbamoylcarbamate (CID 57474139) is (carbamoylamino) N-carbamoylcarbamate.
What is the SMILES notation for (carbamoylamino) N-carbamoylcarbamate?
The canonical SMILES for (carbamoylamino) N-carbamoylcarbamate is NC(=O)NOC(=O)NC(N)=O.
What is the InChIKey of (carbamoylamino) N-carbamoylcarbamate?
The InChIKey is WXBKOSJDXALDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O4/c4-1(8)6-3(10)11-7-2(5)9/h(H3,5,7,9)(H3,4,6,8,10).
What are the key properties of (carbamoylamino) N-carbamoylcarbamate?
(carbamoylamino) N-carbamoylcarbamate has a molecular weight of 162.11 g/mol, XLogP of -1.63, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamoylamino) N-carbamoylcarbamate is sourced from PubChem (CID 57474139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).