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

C12H24N2O3 — CID 11601211

IUPACtert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7-14(8-2)10(15)9(3)13-11(16)17-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,16)/t9-/m0/s1
InChIKeyFBEGTFJEBZBFOO-VIFPVBQESA-N
MW244.33 g/mol
LogP1.77
Rot. Bonds4

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

tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 11601211) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID11601211
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7-14(8-2)10(15)9(3)13-11(16)17-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,16)/t9-/m0/s1
InChIKeyFBEGTFJEBZBFOO-VIFPVBQESA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate
CID 14060550
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]-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
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
Tert-butyl 3-oxopiperazine-1-carboxylate
CID 3157178
N-(((2-Methyl-2-propanyl)oxy)carbonyl)-L-alanyl-L-alaninamide
CID 5497045
tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate
CID 375613
tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate
CID 545702
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate (CID 11601211) is tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate is CCN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is FBEGTFJEBZBFOO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7-14(8-2)10(15)9(3)13-11(16)17-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,16)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11601211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).