5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid

C15H14N2O4S — CID 146128298

IUPAC5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C15H14N2O4S/c16-13(18)10(8-9-4-2-1-3-5-9)17-14(19)11-6-7-12(22-11)15(20)21/h1-7,10H,8H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyIVBPRJRJGGLQFU-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.27
Rot. Bonds6

About 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid

5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 146128298) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID146128298
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C15H14N2O4S/c16-13(18)10(8-9-4-2-1-3-5-9)17-14(19)11-6-7-12(22-11)15(20)21/h1-7,10H,8H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyIVBPRJRJGGLQFU-UHFFFAOYSA-N
XLogP1.27
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-5-bromothiophene-2-carboxamide
CID 49084011
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
methyl (2S)-2-[(5-acetylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 18104502
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate;oxolane
CID 139079471
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]thiophene-2-carboxylic acid
CID 59608190
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
CID 25148045

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid (CID 146128298) is 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid is NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is IVBPRJRJGGLQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c16-13(18)10(8-9-4-2-1-3-5-9)17-14(19)11-6-7-12(22-11)15(20)21/h1-7,10H,8H2,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid?
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 146128298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).