tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate

C12H18N2O3S — CID 67508736

IUPACtert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CN)C(=O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)17-11(16)14-8(7-13)10(15)9-5-4-6-18-9/h4-6,8H,7,13H2,1-3H3,(H,14,16)
InChIKeyHTTLBLXDRAYORR-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.78
Rot. Bonds4

About tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate

tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate (PubChem CID 67508736) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate
PubChem CID67508736
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CN)C(=O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)17-11(16)14-8(7-13)10(15)9-5-4-6-18-9/h4-6,8H,7,13H2,1-3H3,(H,14,16)
InChIKeyHTTLBLXDRAYORR-UHFFFAOYSA-N
XLogP1.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoate
CID 165439016
tert-butyl 2-methyl-3-oxo-3-thiophen-2-ylpropanoate
CID 66338153
tert-butyl N-[(2R)-1-hydroxy-4-oxo-4-thiophen-2-ylbutan-2-yl]carbamate
CID 71508403
tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
CID 138483385
tert-butyl N-(1-chloro-2-thiophen-2-ylethyl)carbamate
CID 70494675
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7020984
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoate
CID 162423961
tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
CID 67509164
(2R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 106931658
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 90458389

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate (CID 67508736) is tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CN)C(=O)c1cccs1.
What is the InChIKey of tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate?
The InChIKey is HTTLBLXDRAYORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,3)17-11(16)14-8(7-13)10(15)9-5-4-6-18-9/h4-6,8H,7,13H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate?
tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate has a molecular weight of 270.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate is sourced from PubChem (CID 67508736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).