N-[(carbamoylamino)methyl]carbamate

C3H6N3O3- — CID 45266621

IUPACN-[(carbamoylamino)methyl]carbamate
SMILESNC(=O)NCNC(=O)[O-]
InChIInChI=1S/C3H7N3O3/c4-2(7)5-1-6-3(8)9/h6H,1H2,(H,8,9)(H3,4,5,7)/p-1
InChIKeyHEQOQFYJHRGZCD-UHFFFAOYSA-M
MW132.10 g/mol
LogP-2.45
Rot. Bonds2

About N-[(carbamoylamino)methyl]carbamate

N-[(carbamoylamino)methyl]carbamate (PubChem CID 45266621) has the molecular formula C3H6N3O3- and a molecular weight of 132.10 g/mol. Its IUPAC name is N-[(carbamoylamino)methyl]carbamate.

Molecular Properties

Compound NameN-[(carbamoylamino)methyl]carbamate
PubChem CID45266621
Molecular FormulaC3H6N3O3-
Molecular Weight132.10 g/mol
Exact Mass132.04
IUPAC NameN-[(carbamoylamino)methyl]carbamate
SMILESNC(=O)NCNC(=O)[O-]
InChIInChI=1S/C3H7N3O3/c4-2(7)5-1-6-3(8)9/h6H,1H2,(H,8,9)(H3,4,5,7)/p-1
InChIKeyHEQOQFYJHRGZCD-UHFFFAOYSA-M
XLogP-2.45
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.10
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[(carbamoylamino)methyl]carbamate?
The IUPAC name of N-[(carbamoylamino)methyl]carbamate (CID 45266621) is N-[(carbamoylamino)methyl]carbamate.
What is the SMILES notation for N-[(carbamoylamino)methyl]carbamate?
The canonical SMILES for N-[(carbamoylamino)methyl]carbamate is NC(=O)NCNC(=O)[O-].
What is the InChIKey of N-[(carbamoylamino)methyl]carbamate?
The InChIKey is HEQOQFYJHRGZCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7N3O3/c4-2(7)5-1-6-3(8)9/h6H,1H2,(H,8,9)(H3,4,5,7)/p-1.
What are the key properties of N-[(carbamoylamino)methyl]carbamate?
N-[(carbamoylamino)methyl]carbamate has a molecular weight of 132.10 g/mol, XLogP of -2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(carbamoylamino)methyl]carbamate is sourced from PubChem (CID 45266621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).