(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid

C15H19NO4 — CID 92920729

IUPAC(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-10-5-3-6-12(9-10)20-11(2)14(17)16-8-4-7-13(16)15(18)19/h3,5-6,9,11,13H,4,7-8H2,1-2H3,(H,18,19)/t11-,13-/m0/s1
InChIKeyFOTCSPOUPISYMN-AAEUAGOBSA-N
MW277.32 g/mol
LogP1.84
Rot. Bonds4

About (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 92920729) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID92920729
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-10-5-3-6-12(9-10)20-11(2)14(17)16-8-4-7-13(16)15(18)19/h3,5-6,9,11,13H,4,7-8H2,1-2H3,(H,18,19)/t11-,13-/m0/s1
InChIKeyFOTCSPOUPISYMN-AAEUAGOBSA-N
XLogP1.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2S)-2-(3-methylphenoxy)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

(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
(2S)-1-[2-(4-chloro-3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365846
(2S)-1-[2-(2-chloro-5-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365437
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854
(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371716
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758
N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
CID 86927916
1-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 136520056
(2R)-1-[(2R)-2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 124591782

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid (CID 92920729) is (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid is Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)c1.
What is the InChIKey of (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FOTCSPOUPISYMN-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-5-3-6-12(9-10)20-11(2)14(17)16-8-4-7-13(16)15(18)19/h3,5-6,9,11,13H,4,7-8H2,1-2H3,(H,18,19)/t11-,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 92920729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).