2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid

C15H16N2O3S — CID 115284689

IUPAC2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCC(N)(C(=O)NC(C(=O)O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-15(16,10-6-3-2-4-7-10)14(20)17-12(13(18)19)11-8-5-9-21-11/h2-9,12H,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyMBZVTTKXXVNVQH-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.86
Rot. Bonds5

About 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284689) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284689
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCC(N)(C(=O)NC(C(=O)O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c1-15(16,10-6-3-2-4-7-10)14(20)17-12(13(18)19)11-8-5-9-21-11/h2-9,12H,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyMBZVTTKXXVNVQH-UHFFFAOYSA-N
XLogP1.86
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)-2-phenylpropanamide
CID 62487540
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 112602340
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696206

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid (CID 115284689) is 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid is CC(N)(C(=O)NC(C(=O)O)c1cccs1)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is MBZVTTKXXVNVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(16,10-6-3-2-4-7-10)14(20)17-12(13(18)19)11-8-5-9-21-11/h2-9,12H,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 304.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).