2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid

C15H19NO4S — CID 167843165

IUPAC2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)CCC(=O)NC2CCCC2C(=O)O)s1
InChIInChI=1S/C15H19NO4S/c1-9-5-7-13(21-9)12(17)6-8-14(18)16-11-4-2-3-10(11)15(19)20/h5,7,10-11H,2-4,6,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyLIMWNSQTTCDKIY-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.39
Rot. Bonds6

About 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid

2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 167843165) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID167843165
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)CCC(=O)NC2CCCC2C(=O)O)s1
InChIInChI=1S/C15H19NO4S/c1-9-5-7-13(21-9)12(17)6-8-14(18)16-11-4-2-3-10(11)15(19)20/h5,7,10-11H,2-4,6,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyLIMWNSQTTCDKIY-UHFFFAOYSA-N
XLogP2.39
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106461
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 25276476
[2-(cycloheptylamino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7523920
4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 18139455
N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55452789
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid (CID 167843165) is 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(=O)CCC(=O)NC2CCCC2C(=O)O)s1.
What is the InChIKey of 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LIMWNSQTTCDKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-9-5-7-13(21-9)12(17)6-8-14(18)16-11-4-2-3-10(11)15(19)20/h5,7,10-11H,2-4,6,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid?
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 167843165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).