3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

C15H24N2O3S — CID 63782142

IUPAC3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(C(=O)N1C(C(=O)O)CSC1C1CC1)C1CCCC1
InChIInChI=1S/C15H24N2O3S/c1-2-16(11-5-3-4-6-11)15(20)17-12(14(18)19)9-21-13(17)10-7-8-10/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyXSVQQEHWDBLRRM-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.61
Rot. Bonds4

About 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63782142) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63782142
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(C(=O)N1C(C(=O)O)CSC1C1CC1)C1CCCC1
InChIInChI=1S/C15H24N2O3S/c1-2-16(11-5-3-4-6-11)15(20)17-12(14(18)19)9-21-13(17)10-7-8-10/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyXSVQQEHWDBLRRM-UHFFFAOYSA-N
XLogP2.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
2-cyclopropyl-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780355
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781994
2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791706
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007
2-cyclopropyl-3-(2-propan-2-yloxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 112602179
(4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61189978
3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779368
2-cyclopropyl-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792054
2-cyclopropyl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779480

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (CID 63782142) is 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is CCN(C(=O)N1C(C(=O)O)CSC1C1CC1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XSVQQEHWDBLRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-16(11-5-3-4-6-11)15(20)17-12(14(18)19)9-21-13(17)10-7-8-10/h10-13H,2-9H2,1H3,(H,18,19).
What are the key properties of 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 312.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63782142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).