2-(2-chlorothiophen-3-yl)pentanoic acid

C9H11ClO2S — CID 168975341

IUPAC2-(2-chlorothiophen-3-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccsc1Cl
InChIInChI=1S/C9H11ClO2S/c1-2-3-7(9(11)12)6-4-5-13-8(6)10/h4-5,7H,2-3H2,1H3,(H,11,12)
InChIKeyUPXWALRHEPRUBU-UHFFFAOYSA-N
MW218.70 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-chlorothiophen-3-yl)pentanoic acid

2-(2-chlorothiophen-3-yl)pentanoic acid (PubChem CID 168975341) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)pentanoic acid
PubChem CID168975341
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name2-(2-chlorothiophen-3-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccsc1Cl
InChIInChI=1S/C9H11ClO2S/c1-2-3-7(9(11)12)6-4-5-13-8(6)10/h4-5,7H,2-3H2,1H3,(H,11,12)
InChIKeyUPXWALRHEPRUBU-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylthiophen-3-yl)butanoic acid
CID 102837236
2-(1-carboxybutyl)benzoic acid
CID 51041232
2-(2-phenylphenyl)pentanoic acid
CID 67565626
3-(2-chlorothiophen-3-yl)-2-methylpropanoic acid
CID 130640023
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
2-[2-(4-carboxybutyl)phenyl]pentanoic acid
CID 139936646
2-(5-bromothiophen-2-yl)pentanoic acid
CID 82091087
3-amino-3-(2-chlorothiophen-3-yl)propan-1-ol
CID 55295934
tert-butyl N-[4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutyl]carbamate
CID 171884237
2-[2-(diaminomethylideneamino)phenyl]pentanoic acid
CID 174893265
2-chloro-2-(2-chlorothiophen-3-yl)-N-propan-2-ylacetamide
CID 131062624

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothiophen-3-yl)pentanoic acid?
The IUPAC name of 2-(2-chlorothiophen-3-yl)pentanoic acid (CID 168975341) is 2-(2-chlorothiophen-3-yl)pentanoic acid.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)pentanoic acid?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)pentanoic acid is CCCC(C(=O)O)c1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)pentanoic acid?
The InChIKey is UPXWALRHEPRUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c1-2-3-7(9(11)12)6-4-5-13-8(6)10/h4-5,7H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(2-chlorothiophen-3-yl)pentanoic acid?
2-(2-chlorothiophen-3-yl)pentanoic acid has a molecular weight of 218.70 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)pentanoic acid is sourced from PubChem (CID 168975341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).