(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid

C7H13NO2 — CID 95993864

IUPAC(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1NCC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-6-5(7(9)10)3-4-8-6/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyPXLUEXMNBAAHQI-WDSKDSINSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds2

About (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid

(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid (PubChem CID 95993864) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid
PubChem CID95993864
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1NCC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-6-5(7(9)10)3-4-8-6/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyPXLUEXMNBAAHQI-WDSKDSINSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 66899489
methyl 2-ethyl-3-methylpiperidine-4-carboxylate
CID 83915229
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid
CID 83915874
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
CID 174214436
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
2-[(4-chlorophenoxy)methyl]pyrrolidine-3-carboxylic acid
CID 82363503
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557
(2R,3R)-2-ethylpyrrolidin-3-amine
CID 90066491
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
2,3-diethylpyrrolidine;molecular hydrogen
CID 178039705
3-propylpyrrolidine-2-carboxylic acid
CID 14482017

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid (CID 95993864) is (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid is CC[C@@H]1NCC[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is PXLUEXMNBAAHQI-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-6-5(7(9)10)3-4-8-6/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid?
(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95993864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).