tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate

C10H20N2O3 — CID 2818239

IUPACtert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCNC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-6-11-8(13)7(2)12-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)(H,12,14)
InChIKeyIUYXQFLOYFCQKL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.04
Rot. Bonds3

About tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 2818239) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID2818239
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCNC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-6-11-8(13)7(2)12-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)(H,12,14)
InChIKeyIUYXQFLOYFCQKL-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate
CID 14060550
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]butyl]carbamate
CID 11514386
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]propyl]carbamate
CID 11550481
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]pentyl]carbamate
CID 11637576
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-methylpropyl]carbamate
CID 14774521
Carbamic acid, [2-[(cyanomethyl)amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester, (s)-
CID 15283376
Boc-Ala-NH2
CID 7015295
(s)-Tert-butyl 3-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 9882310
N-(((2-Methyl-2-propanyl)oxy)carbonyl)-L-alanyl-L-alaninamide
CID 5497045
((S)-2-tert-Butoxycarbonylamino-3-oxo-propyl)-carbamic acid methyl ester
CID 44326942
tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate
CID 545702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate (CID 2818239) is tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate is CCNC(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is IUYXQFLOYFCQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6-11-8(13)7(2)12-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 2818239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).