[(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium

C17H23N2OS+ — CID 8998181

IUPAC[(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCC(C)c1ccc([C@H]([NH2+][C@H](C)C(N)=O)c2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-11(2)13-6-8-14(9-7-13)16(15-5-4-10-21-15)19-12(3)17(18)20/h4-12,16,19H,1-3H3,(H2,18,20)/p+1/t12-,16+/m1/s1
InChIKeyORTNIHRBUJJTGE-WBMJQRKESA-O
MW303.45 g/mol
LogP2.40
Rot. Bonds6

About [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium

[(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium (PubChem CID 8998181) has the molecular formula C17H23N2OS+ and a molecular weight of 303.45 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
PubChem CID8998181
Molecular FormulaC17H23N2OS+
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCC(C)c1ccc([C@H]([NH2+][C@H](C)C(N)=O)c2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-11(2)13-6-8-14(9-7-13)16(15-5-4-10-21-15)19-12(3)17(18)20/h4-12,16,19H,1-3H3,(H2,18,20)/p+1/t12-,16+/m1/s1
InChIKeyORTNIHRBUJJTGE-WBMJQRKESA-O
XLogP2.40
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium with MolForge

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl]-[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
CID 8996708
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998344
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868453
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769393
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867607
[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8996836
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136328
[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 9126343
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051205
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9052432
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769307
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8996686

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium (CID 8998181) is [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium is CC(C)c1ccc([C@H]([NH2+][C@H](C)C(N)=O)c2cccs2)cc1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The InChIKey is ORTNIHRBUJJTGE-WBMJQRKESA-O. The full InChI is InChI=1S/C17H22N2OS/c1-11(2)13-6-8-14(9-7-13)16(15-5-4-10-21-15)19-12(3)17(18)20/h4-12,16,19H,1-3H3,(H2,18,20)/p+1/t12-,16+/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
[(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium has a molecular weight of 303.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 8998181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).