benzyl N-(carbamoylamino)carbamate

C9H11N3O3 — CID 141421180

IUPACbenzyl N-(carbamoylamino)carbamate
SMILESNC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C9H11N3O3/c10-8(13)11-12-9(14)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14)(H3,10,11,13)
InChIKeyFCBPFLLDDUKYGS-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.50
Rot. Bonds2

About benzyl N-(carbamoylamino)carbamate

benzyl N-(carbamoylamino)carbamate (PubChem CID 141421180) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is benzyl N-(carbamoylamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(carbamoylamino)carbamate
PubChem CID141421180
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Namebenzyl N-(carbamoylamino)carbamate
SMILESNC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C9H11N3O3/c10-8(13)11-12-9(14)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14)(H3,10,11,13)
InChIKeyFCBPFLLDDUKYGS-UHFFFAOYSA-N
XLogP0.50
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-benzamidocarbamate
CID 4935848
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl N-chlorocarbamate
CID 2755304
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-carbamothioylcarbamate
CID 23366039
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[(2,2-diphenylacetyl)amino]carbamate
CID 4935805
(phenylmethoxyamino)urea
CID 67928507
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722

Frequently Asked Questions

What is the IUPAC name of benzyl N-(carbamoylamino)carbamate?
The IUPAC name of benzyl N-(carbamoylamino)carbamate (CID 141421180) is benzyl N-(carbamoylamino)carbamate.
What is the SMILES notation for benzyl N-(carbamoylamino)carbamate?
The canonical SMILES for benzyl N-(carbamoylamino)carbamate is NC(=O)NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(carbamoylamino)carbamate?
The InChIKey is FCBPFLLDDUKYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-8(13)11-12-9(14)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14)(H3,10,11,13).
What are the key properties of benzyl N-(carbamoylamino)carbamate?
benzyl N-(carbamoylamino)carbamate has a molecular weight of 209.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(carbamoylamino)carbamate is sourced from PubChem (CID 141421180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).