(3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid

C17H23NO5 — CID 129469529

IUPAC(3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCOC[C@@]1(C(=O)O)CCN(C(=O)[C@H](C)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H23NO5/c1-12(13-4-6-14(23-3)7-5-13)15(19)18-9-8-17(10-18,11-22-2)16(20)21/h4-7,12H,8-11H2,1-3H3,(H,20,21)/t12-,17-/m1/s1
InChIKeyZXNBUJYULZGYGP-SJKOYZFVSA-N
MW321.37 g/mol
LogP1.75
Rot. Bonds6

About (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid

(3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 129469529) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID129469529
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCOC[C@@]1(C(=O)O)CCN(C(=O)[C@H](C)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H23NO5/c1-12(13-4-6-14(23-3)7-5-13)15(19)18-9-8-17(10-18,11-22-2)16(20)21/h4-7,12H,8-11H2,1-3H3,(H,20,21)/t12-,17-/m1/s1
InChIKeyZXNBUJYULZGYGP-SJKOYZFVSA-N
XLogP1.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 172548571
(3R)-1-[(2R)-3-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686578
1-[2-(4-methoxyphenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257095
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071128
(3S)-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686012
(3R)-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686007
(3S)-1-[(3R)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686852
2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 118386224
2-[2-(4-chlorophenyl)propanoyl]-N-(3-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carbothioamide
CID 3863422
1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 122109200
1-[4-[(2S)-2-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 95616188

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid (CID 129469529) is (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid is COC[C@@]1(C(=O)O)CCN(C(=O)[C@H](C)c2ccc(OC)cc2)C1.
What is the InChIKey of (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZXNBUJYULZGYGP-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12(13-4-6-14(23-3)7-5-13)15(19)18-9-8-17(10-18,11-22-2)16(20)21/h4-7,12H,8-11H2,1-3H3,(H,20,21)/t12-,17-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
(3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129469529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).