(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid

C13H23NO3 — CID 78921934

IUPAC(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
SMILESCCCCC(CC)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-5-7-10(4-2)12(15)14-9-6-8-11(14)13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyBUXVPCZHXOSUIG-RRKGBCIJSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds6

About (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78921934) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
PubChem CID78921934
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
SMILESCCCCC(CC)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-5-7-10(4-2)12(15)14-9-6-8-11(14)13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyBUXVPCZHXOSUIG-RRKGBCIJSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634
1-(2-propylpentanoyl)piperidine-2-carboxylic acid
CID 53215619
(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
CID 102411340
1-(2-methylhexanoyl)azocane-2-carboxylic acid
CID 114246096
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 131497998
1-[2-(aminomethyl)butanoyl]azepane-2-carboxylic acid
CID 65228427
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 63395935
2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one
CID 42702663
1-[2-[butyl(methyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 82042254

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid (CID 78921934) is (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid is CCCCC(CC)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BUXVPCZHXOSUIG-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-5-7-10(4-2)12(15)14-9-6-8-11(14)13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78921934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).