tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate

C9H18INO3 — CID 91667088

IUPACtert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCI
InChIInChI=1S/C9H18INO3/c1-9(2,3)14-8(13)11-6-7(12)4-5-10/h7,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyGCSFARYQBXTXNN-UHFFFAOYSA-N
MW315.15 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate

tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate (PubChem CID 91667088) has the molecular formula C9H18INO3 and a molecular weight of 315.15 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
PubChem CID91667088
Molecular FormulaC9H18INO3
Molecular Weight315.15 g/mol
Exact Mass315.03
IUPAC Nametert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCI
InChIInChI=1S/C9H18INO3/c1-9(2,3)14-8(13)11-6-7(12)4-5-10/h7,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyGCSFARYQBXTXNN-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
(2R,5S)-2-azaniumyl-5-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 7408421
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
methyl (2S,5S)-5-hydroxy-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 101344037
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(5-amino-2-hydroxy-7-oxoheptyl)carbamate
CID 143475336
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;2-methylprop-2-enoic acid
CID 158486538
2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid
CID 166714903
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate (CID 91667088) is tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate is CC(C)(C)OC(=O)NCC(O)CCI.
What is the InChIKey of tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate?
The InChIKey is GCSFARYQBXTXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO3/c1-9(2,3)14-8(13)11-6-7(12)4-5-10/h7,12H,4-6H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate?
tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate has a molecular weight of 315.15 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate is sourced from PubChem (CID 91667088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).