5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid

C16H23NO4 — CID 82348874

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid
SMILESO=C(O)CCC(NCCO)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO4/c18-9-8-17-14(6-7-15(19)20)16(21)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14,16-18,21H,1-3,6-9H2,(H,19,20)
InChIKeyIAYJXIMTHRHZKG-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.02
Rot. Bonds8

About 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid

5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid (PubChem CID 82348874) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid
PubChem CID82348874
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid
SMILESO=C(O)CCC(NCCO)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO4/c18-9-8-17-14(6-7-15(19)20)16(21)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14,16-18,21H,1-3,6-9H2,(H,19,20)
InChIKeyIAYJXIMTHRHZKG-UHFFFAOYSA-N
XLogP1.02
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzodioxol-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid
CID 82348779
3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid
CID 82348854
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(ethylamino)-4-hydroxybutanoate
CID 82348869
4-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312859
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
4-hydroxy-3-(2-hydroxyethylamino)-4-phenylbutanoic acid
CID 82347220
sodium 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoate
CID 23703653
3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid
CID 119201393

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid (CID 82348874) is 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid is O=C(O)CCC(NCCO)C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid?
The InChIKey is IAYJXIMTHRHZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-9-8-17-14(6-7-15(19)20)16(21)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14,16-18,21H,1-3,6-9H2,(H,19,20).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid?
5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 1.02, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid is sourced from PubChem (CID 82348874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).