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

C20H24N4O6 — CID 69459510

IUPACbenzyl N-(2-amino-2-oxoethyl)carbamate
SMILESNC(=O)CNC(=O)OCc1ccccc1.NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/2C10H12N2O3/c2*11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h2*1-5H,6-7H2,(H2,11,13)(H,12,14)
InChIKeySCHQIWYDSVICLI-UHFFFAOYSA-N
MW416.43 g/mol
LogP0.80
Rot. Bonds8

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

benzyl N-(2-amino-2-oxoethyl)carbamate (PubChem CID 69459510) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is benzyl N-(2-amino-2-oxoethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-amino-2-oxoethyl)carbamate
PubChem CID69459510
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Namebenzyl N-(2-amino-2-oxoethyl)carbamate
SMILESNC(=O)CNC(=O)OCc1ccccc1.NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/2C10H12N2O3/c2*11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h2*1-5H,6-7H2,(H2,11,13)(H,12,14)
InChIKeySCHQIWYDSVICLI-UHFFFAOYSA-N
XLogP0.80
TPSA162.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105
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-amino-2-oxoethyl)carbamate?
The IUPAC name of benzyl N-(2-amino-2-oxoethyl)carbamate (CID 69459510) is benzyl N-(2-amino-2-oxoethyl)carbamate.
What is the SMILES notation for benzyl N-(2-amino-2-oxoethyl)carbamate?
The canonical SMILES for benzyl N-(2-amino-2-oxoethyl)carbamate is NC(=O)CNC(=O)OCc1ccccc1.NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-amino-2-oxoethyl)carbamate?
The InChIKey is SCHQIWYDSVICLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2O3/c2*11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h2*1-5H,6-7H2,(H2,11,13)(H,12,14).
What are the key properties of benzyl N-(2-amino-2-oxoethyl)carbamate?
benzyl N-(2-amino-2-oxoethyl)carbamate has a molecular weight of 416.43 g/mol, XLogP of 0.80, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-amino-2-oxoethyl)carbamate is sourced from PubChem (CID 69459510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).