3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid

C19H20N2O4S — CID 119362239

IUPAC3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N2O4S/c1-21(9-7-16(22)23)19(25)15-8-10-26-18(15)20-17(24)14-6-5-12-3-2-4-13(12)11-14/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,20,24)(H,22,23)
InChIKeyCYKBOXSBWBYBKX-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.04
Rot. Bonds6

About 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid

3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119362239) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid
PubChem CID119362239
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N2O4S/c1-21(9-7-16(22)23)19(25)15-8-10-26-18(15)20-17(24)14-6-5-12-3-2-4-13(12)11-14/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,20,24)(H,22,23)
InChIKeyCYKBOXSBWBYBKX-UHFFFAOYSA-N
XLogP3.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic 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

3-[[2-[(4-ethylbenzoyl)amino]thiophene-3-carbonyl]-methylamino]propanoic acid
CID 119362961
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-piperidin-4-ylthiophene-3-carboxamide
CID 119388601
3-[methyl-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanoic acid
CID 82136249
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
CID 119615790
N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119423582
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 119462719
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 154840874
N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119579024
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119485689
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120556634

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid (CID 119362239) is 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is CYKBOXSBWBYBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-21(9-7-16(22)23)19(25)15-8-10-26-18(15)20-17(24)14-6-5-12-3-2-4-13(12)11-14/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid?
3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 372.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).