3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C13H20N2O5S — CID 61187460

IUPAC3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)C1CCCN(C(=O)N2CSCC2C(=O)O)C1
InChIInChI=1S/C13H20N2O5S/c1-2-20-12(18)9-4-3-5-14(6-9)13(19)15-8-21-7-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyDTTLKBDTDICFHX-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.84
Rot. Bonds3

About 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61187460) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61187460
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)C1CCCN(C(=O)N2CSCC2C(=O)O)C1
InChIInChI=1S/C13H20N2O5S/c1-2-20-12(18)9-4-3-5-14(6-9)13(19)15-8-21-7-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyDTTLKBDTDICFHX-UHFFFAOYSA-N
XLogP0.84
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 54989919
(4R)-3-[3-(methylcarbamoyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 103197228
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359555
ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42745307
2-[1-(3-ethoxycarbonylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616596
4-(2-ethoxycarbonylpyrrolidine-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82902421
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
(4R)-3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 79943995
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63605096

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61187460) is 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCOC(=O)C1CCCN(C(=O)N2CSCC2C(=O)O)C1.
What is the InChIKey of 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DTTLKBDTDICFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-2-20-12(18)9-4-3-5-14(6-9)13(19)15-8-21-7-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61187460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).