3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C15H26N2O3S — CID 63792371

IUPAC3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C(=O)N2C(C(=O)O)CSC2C(C)C)CCCNC1
InChIInChI=1S/C15H26N2O3S/c1-4-15(6-5-7-16-9-15)14(20)17-11(13(18)19)8-21-12(17)10(2)3/h10-12,16H,4-9H2,1-3H3,(H,18,19)
InChIKeyAVMTUWUFSHWORV-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.78
Rot. Bonds4

About 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792371) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792371
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C(=O)N2C(C(=O)O)CSC2C(C)C)CCCNC1
InChIInChI=1S/C15H26N2O3S/c1-4-15(6-5-7-16-9-15)14(20)17-11(13(18)19)8-21-12(17)10(2)3/h10-12,16H,4-9H2,1-3H3,(H,18,19)
InChIKeyAVMTUWUFSHWORV-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylpyrrolidine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 83071465
3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63790622
2-ethyl-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790950
3-[2-(1-aminocyclopentyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64677874
(4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63132013
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-(2-methoxy-2-methylbutanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 114105231
4-(3-ethylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904914
1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780244
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63792371) is 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCC1(C(=O)N2C(C(=O)O)CSC2C(C)C)CCCNC1.
What is the InChIKey of 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AVMTUWUFSHWORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-15(6-5-7-16-9-15)14(20)17-11(13(18)19)8-21-12(17)10(2)3/h10-12,16H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).