benzyl N-(2-nitroso-2-oxoethyl)carbamate

C10H10N2O4 — CID 118370202

IUPACbenzyl N-(2-nitroso-2-oxoethyl)carbamate
SMILESO=NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H10N2O4/c13-9(12-15)6-11-10(14)16-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)
InChIKeyNBKNYCXYGBEFBX-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.21
Rot. Bonds4

About benzyl N-(2-nitroso-2-oxoethyl)carbamate

benzyl N-(2-nitroso-2-oxoethyl)carbamate (PubChem CID 118370202) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is benzyl N-(2-nitroso-2-oxoethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-nitroso-2-oxoethyl)carbamate
PubChem CID118370202
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namebenzyl N-(2-nitroso-2-oxoethyl)carbamate
SMILESO=NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H10N2O4/c13-9(12-15)6-11-10(14)16-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)
InChIKeyNBKNYCXYGBEFBX-UHFFFAOYSA-N
XLogP1.21
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006
benzyl N-[2-[(4-methylphenyl)methylideneamino]-2-oxoethyl]carbamate
CID 102528633
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
cyanomethyl 2-(phenylmethoxycarbonylamino)acetate
CID 17936
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
2-hydroxy-3-oxo-4-(phenylmethoxycarbonylamino)butanoic acid
CID 139920935

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-nitroso-2-oxoethyl)carbamate?
The IUPAC name of benzyl N-(2-nitroso-2-oxoethyl)carbamate (CID 118370202) is benzyl N-(2-nitroso-2-oxoethyl)carbamate.
What is the SMILES notation for benzyl N-(2-nitroso-2-oxoethyl)carbamate?
The canonical SMILES for benzyl N-(2-nitroso-2-oxoethyl)carbamate is O=NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-nitroso-2-oxoethyl)carbamate?
The InChIKey is NBKNYCXYGBEFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-9(12-15)6-11-10(14)16-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14).
What are the key properties of benzyl N-(2-nitroso-2-oxoethyl)carbamate?
benzyl N-(2-nitroso-2-oxoethyl)carbamate has a molecular weight of 222.20 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-nitroso-2-oxoethyl)carbamate is sourced from PubChem (CID 118370202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).