5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid

C13H15NO3S — CID 115122593

IUPAC5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid
SMILESO=C(O)CCC(O)CNc1csc2ccccc12
InChIInChI=1S/C13H15NO3S/c15-9(5-6-13(16)17)7-14-11-8-18-12-4-2-1-3-10(11)12/h1-4,8-9,14-15H,5-7H2,(H,16,17)
InChIKeyHUOWDECIQYFIGC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.54
Rot. Bonds6

About 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid

5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid (PubChem CID 115122593) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid
PubChem CID115122593
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid
SMILESO=C(O)CCC(O)CNc1csc2ccccc12
InChIInChI=1S/C13H15NO3S/c15-9(5-6-13(16)17)7-14-11-8-18-12-4-2-1-3-10(11)12/h1-4,8-9,14-15H,5-7H2,(H,16,17)
InChIKeyHUOWDECIQYFIGC-UHFFFAOYSA-N
XLogP2.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939
4-(1-benzothiophen-3-ylamino)-3,3-dimethylbutanoic acid
CID 115220236
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
3-(1-benzothiophen-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163961
N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine
CID 115251280
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
(2R)-2-(1-benzothiophen-3-ylamino)propanoic acid;(2R)-2-(naphthalen-1-ylamino)propanoic acid
CID 71272007
3-[1-benzothiophen-3-ylmethyl(tert-butyl)amino]propanoic acid
CID 63737051
2-(1-benzothiophen-3-ylamino)-3-phenylpropanoic acid
CID 174596084
tert-butyl N-(1-benzothiophen-3-yl)carbamate
CID 13182768
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
2-(1-benzothiophen-3-ylamino)benzoic acid
CID 125468623

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid?
The IUPAC name of 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid (CID 115122593) is 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid.
What is the SMILES notation for 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid?
The canonical SMILES for 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid is O=C(O)CCC(O)CNc1csc2ccccc12.
What is the InChIKey of 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid?
The InChIKey is HUOWDECIQYFIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-9(5-6-13(16)17)7-14-11-8-18-12-4-2-1-3-10(11)12/h1-4,8-9,14-15H,5-7H2,(H,16,17).
What are the key properties of 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid?
5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid has a molecular weight of 265.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid is sourced from PubChem (CID 115122593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).