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

C14H22N2O3 — CID 169191565

IUPACbenzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
SMILESCC(C)C.NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H12N2O3.C4H10/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8;1-4(2)3/h1-5H,6-7H2,(H2,11,13)(H,12,14);4H,1-3H3
InChIKeyUADLXGDDNFUWEG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds4

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

benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane (PubChem CID 169191565) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane.

Molecular Properties

Compound Namebenzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
PubChem CID169191565
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namebenzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
SMILESCC(C)C.NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H12N2O3.C4H10/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8;1-4(2)3/h1-5H,6-7H2,(H2,11,13)(H,12,14);4H,1-3H3
InChIKeyUADLXGDDNFUWEG-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
CID 151400994
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 5479014
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane?
The IUPAC name of benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane (CID 169191565) is benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane.
What is the SMILES notation for benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane?
The canonical SMILES for benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane is CC(C)C.NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane?
The InChIKey is UADLXGDDNFUWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.C4H10/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8;1-4(2)3/h1-5H,6-7H2,(H2,11,13)(H,12,14);4H,1-3H3.
What are the key properties of benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane?
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane has a molecular weight of 266.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane is sourced from PubChem (CID 169191565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).