benzyl N-(methoxycarbonylamino)carbamate

C10H12N2O4 — CID 71669783

IUPACbenzyl N-(methoxycarbonylamino)carbamate
SMILESCOC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C10H12N2O4/c1-15-9(13)11-12-10(14)16-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)(H,12,14)
InChIKeyDEAAOSYQBSXJDD-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.18
Rot. Bonds2

About benzyl N-(methoxycarbonylamino)carbamate

benzyl N-(methoxycarbonylamino)carbamate (PubChem CID 71669783) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is benzyl N-(methoxycarbonylamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(methoxycarbonylamino)carbamate
PubChem CID71669783
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namebenzyl N-(methoxycarbonylamino)carbamate
SMILESCOC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C10H12N2O4/c1-15-9(13)11-12-10(14)16-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)(H,12,14)
InChIKeyDEAAOSYQBSXJDD-UHFFFAOYSA-N
XLogP1.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl N-benzamidocarbamate
CID 4935848
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-chlorocarbamate
CID 2755304
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-[(2,2-diphenylacetyl)amino]carbamate
CID 4935805
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
benzyl acetate
CID 8785
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019

Frequently Asked Questions

What is the IUPAC name of benzyl N-(methoxycarbonylamino)carbamate?
The IUPAC name of benzyl N-(methoxycarbonylamino)carbamate (CID 71669783) is benzyl N-(methoxycarbonylamino)carbamate.
What is the SMILES notation for benzyl N-(methoxycarbonylamino)carbamate?
The canonical SMILES for benzyl N-(methoxycarbonylamino)carbamate is COC(=O)NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(methoxycarbonylamino)carbamate?
The InChIKey is DEAAOSYQBSXJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-9(13)11-12-10(14)16-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of benzyl N-(methoxycarbonylamino)carbamate?
benzyl N-(methoxycarbonylamino)carbamate has a molecular weight of 224.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(methoxycarbonylamino)carbamate is sourced from PubChem (CID 71669783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).