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

C16H21NO5 — CID 119371716

IUPAC(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(COC(C)C(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C16H21NO5/c1-11(15(18)17-8-4-7-14(17)16(19)20)22-10-12-5-3-6-13(9-12)21-2/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,19,20)/t11?,14-/m1/s1
InChIKeyBWIFCOHLFXDHHH-SBXXRYSUSA-N
MW307.35 g/mol
LogP1.68
Rot. Bonds6

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

(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371716) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119371716
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(COC(C)C(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C16H21NO5/c1-11(15(18)17-8-4-7-14(17)16(19)20)22-10-12-5-3-6-13(9-12)21-2/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,19,20)/t11?,14-/m1/s1
InChIKeyBWIFCOHLFXDHHH-SBXXRYSUSA-N
XLogP1.68
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126
(2S)-1-[2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366290
(2R)-1-[(2R)-2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 124591782
1-(4-aminopiperidin-1-yl)-2-[(3-methoxyphenyl)methoxy]propan-1-one;hydrochloride
CID 119374710
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
1-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]piperidine-4-carboxamide
CID 39717828
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid (CID 119371716) is (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid is COc1cccc(COC(C)C(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BWIFCOHLFXDHHH-SBXXRYSUSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(15(18)17-8-4-7-14(17)16(19)20)22-10-12-5-3-6-13(9-12)21-2/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,19,20)/t11?,14-/m1/s1.
What are the key properties of (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).