2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H15NO3S — CID 79803050

IUPAC2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cscc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H15NO3S/c1-7-5-17-6-9(7)11(14)13-10-4-2-3-8(10)12(15)16/h5-6,8,10H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyOKZCBMYLXHHECU-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.04
Rot. Bonds3

About 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 79803050) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID79803050
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cscc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H15NO3S/c1-7-5-17-6-9(7)11(14)13-10-4-2-3-8(10)12(15)16/h5-6,8,10H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyOKZCBMYLXHHECU-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120557568
2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 113439189
2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790685
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532932
2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813055
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 79803050) is 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1cscc1C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OKZCBMYLXHHECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-7-5-17-6-9(7)11(14)13-10-4-2-3-8(10)12(15)16/h5-6,8,10H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79803050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).