2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid

C12H15NO3S — CID 79802677

IUPAC2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCc1cscc1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H15NO3S/c1-8-6-17-7-10(8)12(16)13-4-2-3-9(13)5-11(14)15/h6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyKGYWFCGHNPDEBG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.14
Rot. Bonds3

About 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 79802677) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID79802677
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCc1cscc1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H15NO3S/c1-8-6-17-7-10(8)12(16)13-4-2-3-9(13)5-11(14)15/h6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyKGYWFCGHNPDEBG-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79807562
[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808516
[2-(2-chloroethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808164
2-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370883
2-[1-(3-chloro-4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 103400059
2-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61372064
2-[(2S)-1-(2-hydroxy-4-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 129366358
2-[1-(5-bromo-4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79981389
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453
2-[1-(2,5-dibromothiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 107949088
2-[1-(2-bromo-5-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 81109714
2-[1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114020976

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid (CID 79802677) is 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid is Cc1cscc1C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is KGYWFCGHNPDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-6-17-7-10(8)12(16)13-4-2-3-9(13)5-11(14)15/h6-7,9H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 253.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 79802677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).