2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid

C15H14N2O3S — CID 115284722

IUPAC2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NC(=O)[C@@H]1Cc2ccccc2N1)c1cccs1
InChIInChI=1S/C15H14N2O3S/c18-14(11-8-9-4-1-2-5-10(9)16-11)17-13(15(19)20)12-6-3-7-21-12/h1-7,11,13,16H,8H2,(H,17,18)(H,19,20)/t11-,13?/m0/s1
InChIKeyGPUUBOZQJMYGJH-AMGKYWFPSA-N
MW302.36 g/mol
LogP2.03
Rot. Bonds4

About 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid

2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284722) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID115284722
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NC(=O)[C@@H]1Cc2ccccc2N1)c1cccs1
InChIInChI=1S/C15H14N2O3S/c18-14(11-8-9-4-1-2-5-10(9)16-11)17-13(15(19)20)12-6-3-7-21-12/h1-7,11,13,16H,8H2,(H,17,18)(H,19,20)/t11-,13?/m0/s1
InChIKeyGPUUBOZQJMYGJH-AMGKYWFPSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
CID 80563771
N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77045193
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoic acid
CID 66167597
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid (CID 115284722) is 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid is O=C(O)C(NC(=O)[C@@H]1Cc2ccccc2N1)c1cccs1.
What is the InChIKey of 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is GPUUBOZQJMYGJH-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-14(11-8-9-4-1-2-5-10(9)16-11)17-13(15(19)20)12-6-3-7-21-12/h1-7,11,13,16H,8H2,(H,17,18)(H,19,20)/t11-,13?/m0/s1.
What are the key properties of 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid?
2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 302.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).