1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C14H24N2O3S — CID 106978600

IUPAC1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N1CCSC(C)C1
InChIInChI=1S/C14H24N2O3S/c1-3-5-14(12(17)18)6-4-7-16(14)13(19)15-8-9-20-11(2)10-15/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyKJISRHDKQZWAIY-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978600) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978600
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N1CCSC(C)C1
InChIInChI=1S/C14H24N2O3S/c1-3-5-14(12(17)18)6-4-7-16(14)13(19)15-8-9-20-11(2)10-15/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyKJISRHDKQZWAIY-UHFFFAOYSA-N
XLogP2.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978648
1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978545
1-(4-methylazepane-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978424
1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978284
1-(2-methylpyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978272
2-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83070679
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977101
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(2-ethylpiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978208
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978600) is 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)N1CCSC(C)C1.
What is the InChIKey of 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is KJISRHDKQZWAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-5-14(12(17)18)6-4-7-16(14)13(19)15-8-9-20-11(2)10-15/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).