2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid

C14H17NO4S — CID 43357695

IUPAC2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CSc1ccc2c(c1)CCC2)NC(CO)C(=O)O
InChIInChI=1S/C14H17NO4S/c16-7-12(14(18)19)15-13(17)8-20-11-5-4-9-2-1-3-10(9)6-11/h4-6,12,16H,1-3,7-8H2,(H,15,17)(H,18,19)
InChIKeyVIKKATXJMAYIDO-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.83
Rot. Bonds6

About 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid

2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 43357695) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID43357695
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CSc1ccc2c(c1)CCC2)NC(CO)C(=O)O
InChIInChI=1S/C14H17NO4S/c16-7-12(14(18)19)15-13(17)8-20-11-5-4-9-2-1-3-10(9)6-11/h4-6,12,16H,1-3,7-8H2,(H,15,17)(H,18,19)
InChIKeyVIKKATXJMAYIDO-UHFFFAOYSA-N
XLogP0.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517898
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
1-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81164289
N-[1-(2,5-difluorophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46591264
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 104927939
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide
CID 86881488
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid (CID 43357695) is 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid is O=C(CSc1ccc2c(c1)CCC2)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is VIKKATXJMAYIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c16-7-12(14(18)19)15-13(17)8-20-11-5-4-9-2-1-3-10(9)6-11/h4-6,12,16H,1-3,7-8H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid?
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 295.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).