tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate

C10H21NO3 — CID 87174502

IUPACtert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C10H21NO3/c1-6-11(8(2)7-12)9(13)14-10(3,4)5/h8,12H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyHFIKUOZDGGQFQZ-QMMMGPOBSA-N
MW203.28 g/mol
LogP1.62
Rot. Bonds3

About tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate

tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate (PubChem CID 87174502) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
PubChem CID87174502
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C10H21NO3/c1-6-11(8(2)7-12)9(13)14-10(3,4)5/h8,12H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyHFIKUOZDGGQFQZ-QMMMGPOBSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 146192524
tert-butyl N-ethyl-N-(4-methyl-3-oxohexan-2-yl)carbamate
CID 123630138
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-[(3R)-4-hydroxy-3-methylbutyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 88904676
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
CID 50987939
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate
CID 130871466
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate
CID 89116741
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate
CID 162438546
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate (CID 87174502) is tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate is CCN(C(=O)OC(C)(C)C)[C@@H](C)CO.
What is the InChIKey of tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is HFIKUOZDGGQFQZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-11(8(2)7-12)9(13)14-10(3,4)5/h8,12H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate?
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 87174502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).