methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate

C8H17NO3 — CID 123513479

IUPACmethyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
SMILESCOC(=O)NC(CO)C(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)6(5-10)9-7(11)12-4/h6,10H,5H2,1-4H3,(H,9,11)
InChIKeyOMXKGOXSTCSGII-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.75
Rot. Bonds2

About methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate

methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate (PubChem CID 123513479) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
PubChem CID123513479
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
SMILESCOC(=O)NC(CO)C(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)6(5-10)9-7(11)12-4/h6,10H,5H2,1-4H3,(H,9,11)
InChIKeyOMXKGOXSTCSGII-UHFFFAOYSA-N
XLogP0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 20805046
methyl N-(2,2,6-trimethylheptan-3-yl)carbamate
CID 59664754
methyl N-[(2S)-3,3-dimethyl-1-nitrobutan-2-yl]carbamate
CID 24867821
tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 87529067
tert-butyl N-(1-hydroxy-3-methoxy-3-methylhex-5-en-2-yl)carbamate
CID 20744613
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate
CID 86601015
tert-butyl N-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)carbamate
CID 59458915
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylhex-5-en-2-yl]carbamate
CID 163276049

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate?
The IUPAC name of methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate (CID 123513479) is methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate.
What is the SMILES notation for methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate?
The canonical SMILES for methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate is COC(=O)NC(CO)C(C)(C)C.
What is the InChIKey of methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate?
The InChIKey is OMXKGOXSTCSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)6(5-10)9-7(11)12-4/h6,10H,5H2,1-4H3,(H,9,11).
What are the key properties of methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate?
methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate is sourced from PubChem (CID 123513479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).