5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid

C10H17NO5S — CID 106726403

IUPAC5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
SMILESCCCS(=O)(=O)CCN1C(=O)CCC1C(=O)O
InChIInChI=1S/C10H17NO5S/c1-2-6-17(15,16)7-5-11-8(10(13)14)3-4-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyQWXIUNLCFLLCPK-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.11
Rot. Bonds6

About 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid

5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 106726403) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
PubChem CID106726403
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
SMILESCCCS(=O)(=O)CCN1C(=O)CCC1C(=O)O
InChIInChI=1S/C10H17NO5S/c1-2-6-17(15,16)7-5-11-8(10(13)14)3-4-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyQWXIUNLCFLLCPK-UHFFFAOYSA-N
XLogP-0.11
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
1-(2-butylsulfanylethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 19370197
1-[(4-methylcyclohexyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354754
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874003
5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid
CID 104808350
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
CID 64566108
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 112590083
4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid
CID 106727669
2-methyl-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylic acid
CID 106727622
1-(3-cyanopropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873820

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid (CID 106726403) is 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid is CCCS(=O)(=O)CCN1C(=O)CCC1C(=O)O.
What is the InChIKey of 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QWXIUNLCFLLCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-2-6-17(15,16)7-5-11-8(10(13)14)3-4-9(11)12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid?
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106726403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).