5-(5-methylthiophen-2-yl)-5-oxopentanoic acid

C10H12O3S — CID 2760078

IUPAC5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
SMILESCc1ccc(C(=O)CCCC(=O)O)s1
InChIInChI=1S/C10H12O3S/c1-7-5-6-9(14-7)8(11)3-2-4-10(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyJKPNXWDPVMFQDO-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.49
Rot. Bonds5

About 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid

5-(5-methylthiophen-2-yl)-5-oxopentanoic acid (PubChem CID 2760078) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
PubChem CID2760078
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
SMILESCc1ccc(C(=O)CCCC(=O)O)s1
InChIInChI=1S/C10H12O3S/c1-7-5-6-9(14-7)8(11)3-2-4-10(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyJKPNXWDPVMFQDO-UHFFFAOYSA-N
XLogP2.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-methylthiophen-2-yl)-6-oxohexanoic acid
CID 43446803
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
4-ethylsulfonyl-1-(5-methylthiophen-2-yl)butan-1-one
CID 114974581
5-[5-[(4-methylphenyl)methyl]thiophen-2-yl]-5-oxopentanoic acid
CID 10851902
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
CID 116571604
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-one
CID 103024423
(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one
CID 149121842
1-(5-methylthiophen-2-yl)octane-1,3-dione
CID 43138829
4-(benzenesulfonyl)-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]butan-1-one
CID 101095190
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-one
CID 103147023
1-(5-methylthiophen-2-yl)pent-3-yn-1-one
CID 114964957

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid (CID 2760078) is 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid is Cc1ccc(C(=O)CCCC(=O)O)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid?
The InChIKey is JKPNXWDPVMFQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-7-5-6-9(14-7)8(11)3-2-4-10(12)13/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid?
5-(5-methylthiophen-2-yl)-5-oxopentanoic acid has a molecular weight of 212.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-5-oxopentanoic acid is sourced from PubChem (CID 2760078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).