(2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid

C11H21NO2 — CID 129354189

IUPAC(2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid
SMILESCCC(CC)C[C@H]1CCN[C@@H]1C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-8(4-2)7-9-5-6-12-10(9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyAUYXPDTZUHULRC-ZJUUUORDSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds5

About (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid

(2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid (PubChem CID 129354189) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid
PubChem CID129354189
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid
SMILESCCC(CC)C[C@H]1CCN[C@@H]1C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-8(4-2)7-9-5-6-12-10(9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyAUYXPDTZUHULRC-ZJUUUORDSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
3-propylpyrrolidine-2-carboxylic acid
CID 14482017
3-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 14482018
(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid
CID 155124572
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
(2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid
CID 141198595
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
CID 55301751
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990
3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
CID 15817833

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid (CID 129354189) is (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid is CCC(CC)C[C@H]1CCN[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AUYXPDTZUHULRC-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-8(4-2)7-9-5-6-12-10(9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid?
(2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 129354189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).