3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO4S — CID 103550350

IUPAC3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOCCN(C(=O)C1CCC(C(=O)O)C1)C1CCSC1
InChIInChI=1S/C14H23NO4S/c1-19-6-5-15(12-4-7-20-9-12)13(16)10-2-3-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyNDEKBWIOUKOOIR-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.47
Rot. Bonds6

About 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550350) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550350
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOCCN(C(=O)C1CCC(C(=O)O)C1)C1CCSC1
InChIInChI=1S/C14H23NO4S/c1-19-6-5-15(12-4-7-20-9-12)13(16)10-2-3-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyNDEKBWIOUKOOIR-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
CID 61163362
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
3-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550455
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455
7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
CID 54871392
2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114405
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784695
N-cyclopropyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60948031

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550350) is 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is COCCN(C(=O)C1CCC(C(=O)O)C1)C1CCSC1.
What is the InChIKey of 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is NDEKBWIOUKOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-19-6-5-15(12-4-7-20-9-12)13(16)10-2-3-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).