(2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid

C13H23NO4 — CID 119371802

IUPAC(2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CCOC(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23NO4/c1-9(2)6-8-18-10(3)12(15)14-7-4-5-11(14)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyRGUFJRZIYBFAAQ-RRKGBCIJSA-N
MW257.33 g/mol
LogP1.51
Rot. Bonds6

About (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371802) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119371802
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CCOC(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23NO4/c1-9(2)6-8-18-10(3)12(15)14-7-4-5-11(14)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyRGUFJRZIYBFAAQ-RRKGBCIJSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[2-(3-methylbutoxy)propanoyl]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

(2S)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365990
(2R)-1-[(2R)-2-acetyloxypropanoyl]pyrrolidine-2-carboxylic acid
CID 178172655
(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915
(2S)-2-(3-methylbutoxy)-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 99592393
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
(2R)-1-[(2R,5S)-6-[(2R)-2-carboxypyrrolidin-1-yl]-2,5-dimethoxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 57302101
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
1-[2-(aminomethyl)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 65227126
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid (CID 119371802) is (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid is CC(C)CCOC(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RGUFJRZIYBFAAQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(2)6-8-18-10(3)12(15)14-7-4-5-11(14)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-methylbutoxy)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).