tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate

C10H21NO3 — CID 91279128

IUPACtert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
SMILESCC(CO)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(7-12)6-11(5)9(13)14-10(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyANPGGENQQSVXSP-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.48
Rot. Bonds3

About tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate

tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate (PubChem CID 91279128) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
PubChem CID91279128
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
SMILESCC(CO)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(7-12)6-11(5)9(13)14-10(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyANPGGENQQSVXSP-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 13034825
tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246753
tert-butyl N-[(2R)-3-(ethylcarbamoylamino)-2-methylpropyl]-N-methylcarbamate
CID 97028935
tert-butyl N-[(3R)-4-hydroxy-3-methylbutyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 88904676
tert-butyl N-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107246629
tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
CID 105473883
S-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propan-2-yl] ethanethioate
CID 91382308
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate (CID 91279128) is tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate is CC(CO)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate?
The InChIKey is ANPGGENQQSVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(7-12)6-11(5)9(13)14-10(2,3)4/h8,12H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate?
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate has a molecular weight of 203.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate is sourced from PubChem (CID 91279128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).