tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate

C11H23NO3 — CID 7018766

IUPACtert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m0/s1
InChIKeyLQTMEOSBXTVYRM-VIFPVBQESA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate (PubChem CID 7018766) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate
PubChem CID7018766
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m0/s1
InChIKeyLQTMEOSBXTVYRM-VIFPVBQESA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-((2R)-1-hydroxy-4-methylpentan-2-yl)carbamate
CID 16211316
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
CID 546110
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
tert-butyl N-((2R)-1-hydroxypropan-2-yl)carbamate
CID 13200309
N-Boc-(2S,3S)-(-)-2-Amino-3-methyl-1-pentanol
CID 14237729
(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
tert-butyl (R)-(1,3-dihydroxy-3-methylbutan-2-yl)carbamate
CID 11447316
N-Boc-DL-2-amino-1-butanol
CID 15339785
tert-butyl N-((3R)-1-hydroxy-5-methylhexan-3-yl)carbamate
CID 57791089

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate (CID 7018766) is tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate is CC(C)C[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The InChIKey is LQTMEOSBXTVYRM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate has a molecular weight of 217.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 7018766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).