tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate

C13H22N2O3S — CID 83927676

IUPACtert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)C(O)c1ccsc1
InChIInChI=1S/C13H22N2O3S/c1-13(2,3)18-12(17)15-6-4-10(14)11(16)9-5-7-19-8-9/h5,7-8,10-11,16H,4,6,14H2,1-3H3,(H,15,17)
InChIKeyBBTPBIVELJEEDA-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.02
Rot. Bonds5

About tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate

tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate (PubChem CID 83927676) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate
PubChem CID83927676
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Nametert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)C(O)c1ccsc1
InChIInChI=1S/C13H22N2O3S/c1-13(2,3)18-12(17)15-6-4-10(14)11(16)9-5-7-19-8-9/h5,7-8,10-11,16H,4,6,14H2,1-3H3,(H,15,17)
InChIKeyBBTPBIVELJEEDA-UHFFFAOYSA-N
XLogP2.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate
CID 83930271
tert-butyl N-[3-amino-4-(3-chlorophenyl)-4-hydroxybutyl]carbamate
CID 83924561
tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
CID 83927675
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylpropanoic acid
CID 129366888
tert-butyl N-[3-amino-4-(2,4-dimethylphenyl)-4-hydroxybutyl]carbamate
CID 83928007
2,4-diamino-1-thiophen-3-ylbutan-1-ol
CID 83927672
tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate
CID 83936067
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
CID 171884279
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
tert-butyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171884677
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate (CID 83927676) is tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate is CC(C)(C)OC(=O)NCCC(N)C(O)c1ccsc1.
What is the InChIKey of tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate?
The InChIKey is BBTPBIVELJEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-13(2,3)18-12(17)15-6-4-10(14)11(16)9-5-7-19-8-9/h5,7-8,10-11,16H,4,6,14H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate?
tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate has a molecular weight of 286.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate is sourced from PubChem (CID 83927676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).