(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid

C11H19NO4 — CID 54001407

IUPAC(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid
SMILESCCCC(=O)OCC[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C11H19NO4/c1-2-4-10(13)16-8-6-9-5-3-7-12(9)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyKLWOSTIGSZJMEL-VIFPVBQESA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid

(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid (PubChem CID 54001407) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid
PubChem CID54001407
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid
SMILESCCCC(=O)OCC[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C11H19NO4/c1-2-4-10(13)16-8-6-9-5-3-7-12(9)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyKLWOSTIGSZJMEL-VIFPVBQESA-N
XLogP1.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylethyl butanoate
CID 142409115
2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid
CID 87391725
(2S)-2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573244
2-nonylpiperidine-1-carboxylic acid
CID 69469776
2-(1-octadecanoylpiperidin-2-yl)ethyl 4-(dimethylamino)butanoate
CID 54504435
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
3-(butanoyloxymethyl)piperidine-1-carboxylic acid
CID 19081025
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
4-cycloheptylbutyl butanoate
CID 54174835
9-cyclopropylnonyl butanoate
CID 21445863
2-piperidin-4-ylethyl butanoate
CID 174737441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid (CID 54001407) is (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid is CCCC(=O)OCC[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KLWOSTIGSZJMEL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-4-10(13)16-8-6-9-5-3-7-12(9)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid?
(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 54001407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).