tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate

C13H22N2O3S — CID 83927675

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

About tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate

tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate (PubChem CID 83927675) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
PubChem CID83927675
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Nametert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)C(O)c1ccsc1
InChIInChI=1S/C13H22N2O3S/c1-13(2,3)18-12(17)15-10(4-6-14)11(16)9-5-7-19-8-9/h5,7-8,10-11,16H,4,6,14H2,1-3H3,(H,15,17)
InChIKeyWGRCIJWLHMHZFG-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-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate
CID 83928424
tert-butyl N-[4-amino-1-hydroxy-1-(3-hydroxyphenyl)butan-2-yl]carbamate
CID 83930270
tert-butyl N-[4-amino-1-hydroxy-1-(4-methylsulfanylphenyl)butan-2-yl]carbamate
CID 83935952
tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate
CID 83927676
tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate
CID 83928221
tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate
CID 135134684
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
tert-butyl N-(1-hydroxy-1-phenylhex-5-yn-2-yl)carbamate
CID 71572812
2,4-diamino-1-thiophen-3-ylbutan-1-ol
CID 83927672
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoate
CID 162423961
tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
CID 23586840
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylpropanoic acid
CID 129366888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate (CID 83927675) is tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CCN)C(O)c1ccsc1.
What is the InChIKey of tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate?
The InChIKey is WGRCIJWLHMHZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-13(2,3)18-12(17)15-10(4-6-14)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-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate?
tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)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-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate is sourced from PubChem (CID 83927675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).