tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate

C13H28N2O4 — CID 174908055

IUPACtert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)CCC(O)CCN
InChIInChI=1S/C13H28N2O4/c1-13(2,3)19-12(18)15-9-7-11(17)5-4-10(16)6-8-14/h10-11,16-17H,4-9,14H2,1-3H3,(H,15,18)
InChIKeyWTNUUSJQWVISJD-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.75
Rot. Bonds8

About tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate

tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate (PubChem CID 174908055) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
PubChem CID174908055
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Nametert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)CCC(O)CCN
InChIInChI=1S/C13H28N2O4/c1-13(2,3)19-12(18)15-9-7-11(17)5-4-10(16)6-8-14/h10-11,16-17H,4-9,14H2,1-3H3,(H,15,18)
InChIKeyWTNUUSJQWVISJD-UHFFFAOYSA-N
XLogP0.75
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
CID 175626004
(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 175778157
tert-butyl N-[(2S)-1-[[(3S)-4-amino-3-hydroxybutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 86629834
tert-butyl N-(4-amino-2-methoxybutyl)carbamate
CID 117273632
tert-butyl N-[(2-aminoethylamino)methyl]carbamate
CID 170030361
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate
CID 131977667
tert-butyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 57440197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate?
The IUPAC name of tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate (CID 174908055) is tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate.
What is the SMILES notation for tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate?
The canonical SMILES for tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate is CC(C)(C)OC(=O)NCCC(O)CCC(O)CCN.
What is the InChIKey of tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate?
The InChIKey is WTNUUSJQWVISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4/c1-13(2,3)19-12(18)15-9-7-11(17)5-4-10(16)6-8-14/h10-11,16-17H,4-9,14H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate?
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate has a molecular weight of 276.38 g/mol, XLogP of 0.75, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate is sourced from PubChem (CID 174908055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).