tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate

C11H23NO3 — CID 101456179

IUPACtert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
SMILESCC[C@H](O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-9(13)7-6-8-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyWZSZNECFTARCBP-VIFPVBQESA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate

tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate (PubChem CID 101456179) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
PubChem CID101456179
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
SMILESCC[C@H](O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-9(13)7-6-8-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyWZSZNECFTARCBP-VIFPVBQESA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[(5R)-5-aminoheptyl]carbamate
CID 163765296
tert-butyl N-[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]carbamate
CID 92982229
tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate
CID 46201510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate (CID 101456179) is tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate is CC[C@H](O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate?
The InChIKey is WZSZNECFTARCBP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-9(13)7-6-8-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate?
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate has a molecular weight of 217.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate is sourced from PubChem (CID 101456179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).