4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid

C12H19NO3S — CID 107175886

IUPAC4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid
SMILESCC1CCCC1C(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C12H19NO3S/c1-8-3-2-4-9(8)11(14)13-5-6-17-7-10(13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyUJMAEUCLCMVFJY-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.45
Rot. Bonds2

About 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid

4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 107175886) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid
PubChem CID107175886
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid
SMILESCC1CCCC1C(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C12H19NO3S/c1-8-3-2-4-9(8)11(14)13-5-6-17-7-10(13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyUJMAEUCLCMVFJY-UHFFFAOYSA-N
XLogP1.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 122126119
4-[(2-methylcyclohexyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905186
4-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]thiomorpholine-3-carboxylic acid
CID 82902215
4-(5-methyloxolane-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82900549
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175592
4-(4-tert-butylcyclohexanecarbonyl)thiomorpholine-3-carboxylic acid
CID 78979955
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82903113
4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82905305
ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate
CID 64824562
4-[methyl(thiolan-3-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904711
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid (CID 107175886) is 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid is CC1CCCC1C(=O)N1CCSCC1C(=O)O.
What is the InChIKey of 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is UJMAEUCLCMVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8-3-2-4-9(8)11(14)13-5-6-17-7-10(13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid?
4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 257.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 107175886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).