(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid

C16H21NO4 — CID 119371810

IUPAC(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)Oc1ccccc1CC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C16H21NO4/c1-11(2)21-14-8-4-3-6-12(14)10-15(18)17-9-5-7-13(17)16(19)20/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyWEVOOJZDRPZNJV-CYBMUJFWSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds5

About (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371810) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119371810
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)Oc1ccccc1CC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C16H21NO4/c1-11(2)21-14-8-4-3-6-12(14)10-15(18)17-9-5-7-13(17)16(19)20/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyWEVOOJZDRPZNJV-CYBMUJFWSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]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

(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909083
1-(2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl)-2-(2-propan-2-yloxyphenyl)ethanone
CID 56791671
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124574868
(2S)-1-[3-[2-[(E)-2-phenylethenyl]phenoxy]butanoyl]pyrrolidine-2-carboxylic acid
CID 67863216
2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
CID 22888721
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[5-(2-chlorophenyl)-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 118111913
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 119934244
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid (CID 119371810) is (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid is CC(C)Oc1ccccc1CC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WEVOOJZDRPZNJV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(2)21-14-8-4-3-6-12(14)10-15(18)17-9-5-7-13(17)16(19)20/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).