(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid

C12H19NO4 — CID 119365140

IUPAC(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCC(C(=O)N2CCC[C@H]2C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-2-8-5-6-10(17-8)11(14)13-7-3-4-9(13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8?,9-,10?/m0/s1
InChIKeyADBXAMTUDZPZDX-KYHHOPLUSA-N
MW241.29 g/mol
LogP1.02
Rot. Bonds3

About (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119365140) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119365140
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCC(C(=O)N2CCC[C@H]2C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-2-8-5-6-10(17-8)11(14)13-7-3-4-9(13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8?,9-,10?/m0/s1
InChIKeyADBXAMTUDZPZDX-KYHHOPLUSA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119353921
(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944442
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435
1-[(2S)-oxane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 142318628
(2S)-1-(2,6-dimethyloxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 110835674
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688135
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
(2R)-1-[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 124699315
(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107000362
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 119365140) is (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid is CCC1CCC(C(=O)N2CCC[C@H]2C(=O)O)O1.
What is the InChIKey of (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ADBXAMTUDZPZDX-KYHHOPLUSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-8-5-6-10(17-8)11(14)13-7-3-4-9(13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).