3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid

C17H17NO3S — CID 167960254

IUPAC3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc2c1CCC2)c1cccs1
InChIInChI=1S/C17H17NO3S/c19-16(20)10-14(15-8-3-9-22-15)18-17(21)13-7-2-5-11-4-1-6-12(11)13/h2-3,5,7-9,14H,1,4,6,10H2,(H,18,21)(H,19,20)
InChIKeyRGYAYYBONAOZHZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.18
Rot. Bonds5

About 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid

3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid (PubChem CID 167960254) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid
PubChem CID167960254
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc2c1CCC2)c1cccs1
InChIInChI=1S/C17H17NO3S/c19-16(20)10-14(15-8-3-9-22-15)18-17(21)13-7-2-5-11-4-1-6-12(11)13/h2-3,5,7-9,14H,1,4,6,10H2,(H,18,21)(H,19,20)
InChIKeyRGYAYYBONAOZHZ-UHFFFAOYSA-N
XLogP3.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-iodobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350832
3-[(2-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61213668
N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 119037635
3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75512233
3-[(3-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 43712134
3-[(5-iodothiophene-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 79693778
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106993309
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644
3-(1-benzofuran-3-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75513256
3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106703085

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid (CID 167960254) is 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid is O=C(O)CC(NC(=O)c1cccc2c1CCC2)c1cccs1.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The InChIKey is RGYAYYBONAOZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-16(20)10-14(15-8-3-9-22-15)18-17(21)13-7-2-5-11-4-1-6-12(11)13/h2-3,5,7-9,14H,1,4,6,10H2,(H,18,21)(H,19,20).
What are the key properties of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid?
3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid has a molecular weight of 315.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 167960254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).