tert-butyl N-(5-hydroxypentan-2-yl)carbamate

C10H21NO3 — CID 545709

IUPACtert-butyl N-(5-hydroxypentan-2-yl)carbamate
SMILESCC(CCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(6-5-7-12)11-9(13)14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyNRRUAIDJASETCY-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.40
Rot. Bonds6

About tert-butyl N-(5-hydroxypentan-2-yl)carbamate

tert-butyl N-(5-hydroxypentan-2-yl)carbamate (PubChem CID 545709) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxypentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxypentan-2-yl)carbamate
PubChem CID545709
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-(5-hydroxypentan-2-yl)carbamate
SMILESCC(CCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(6-5-7-12)11-9(13)14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyNRRUAIDJASETCY-UHFFFAOYSA-N
XLogP1.40
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity175

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-hydroxypentyl)carbamate
CID 4456136
tert-butyl N-((2R)-1-hydroxy-4-methylpentan-2-yl)carbamate
CID 16211316
cis-4-(tert-Butoxycarbonylamino)cyclohexanol
CID 1514287
tert-Butyl N-(4-hydroxybutyl)carbamate
CID 545141
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
CID 546110
tert-butyl N-(3-hydroxypropyl)carbamate
CID 3838134
tert-Butyl N-(6-hydroxyhexyl)carbamate
CID 4146612
Boc-L-leucinol
CID 7018766
tert-butyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 7021464
1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate
CID 7023103
Boc-D-valinol
CID 11241137
tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 11263954

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxypentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxypentan-2-yl)carbamate (CID 545709) is tert-butyl N-(5-hydroxypentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxypentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxypentan-2-yl)carbamate is CC(CCCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-hydroxypentan-2-yl)carbamate?
The InChIKey is NRRUAIDJASETCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(6-5-7-12)11-9(13)14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-(5-hydroxypentan-2-yl)carbamate?
tert-butyl N-(5-hydroxypentan-2-yl)carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hydroxypentan-2-yl)carbamate is sourced from PubChem (CID 545709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).