3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid

C16H14N2O3S — CID 75512233

IUPAC3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc2cc[nH]c12)c1cccs1
InChIInChI=1S/C16H14N2O3S/c19-14(20)9-12(13-5-2-8-22-13)18-16(21)11-4-1-3-10-6-7-17-15(10)11/h1-8,12,17H,9H2,(H,18,21)(H,19,20)
InChIKeyIFUHSXAOGHUTQP-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.18
Rot. Bonds5

About 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid

3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid (PubChem CID 75512233) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
PubChem CID75512233
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc2cc[nH]c12)c1cccs1
InChIInChI=1S/C16H14N2O3S/c19-14(20)9-12(13-5-2-8-22-13)18-16(21)11-4-1-3-10-6-7-17-15(10)11/h1-8,12,17H,9H2,(H,18,21)(H,19,20)
InChIKeyIFUHSXAOGHUTQP-UHFFFAOYSA-N
XLogP3.18
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-iodobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350832
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
CID 103945364
3-[(2-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61213668
3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106703085
N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
CID 71983052
3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 167960254
3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106993309
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
3-[(2,4-dimethoxybenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350859
3-[(3-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 43712134
3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
3-(1-benzofuran-3-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75513256

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid (CID 75512233) is 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid is O=C(O)CC(NC(=O)c1cccc2cc[nH]c12)c1cccs1.
What is the InChIKey of 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid?
The InChIKey is IFUHSXAOGHUTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-14(20)9-12(13-5-2-8-22-13)18-16(21)11-4-1-3-10-6-7-17-15(10)11/h1-8,12,17H,9H2,(H,18,21)(H,19,20).
What are the key properties of 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid?
3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid has a molecular weight of 314.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 75512233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).