(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid

C15H20N2O4 — CID 119910408

IUPAC(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-21-12-6-4-11(5-7-12)16-14(18)8-10-17-9-2-3-13(17)15(19)20/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKeyAEBJJRXWGURBED-ZDUSSCGKSA-N
MW292.33 g/mol
LogP1.57
Rot. Bonds6

About (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid

(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid (PubChem CID 119910408) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
PubChem CID119910408
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-21-12-6-4-11(5-7-12)16-14(18)8-10-17-9-2-3-13(17)15(19)20/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKeyAEBJJRXWGURBED-ZDUSSCGKSA-N
XLogP1.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 94588861
1-[3-(4-chloroanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 122099678
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
(2S)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910626
3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 136529933
(2S)-1-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910796
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43212141

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid (CID 119910408) is (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid is COc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)O)cc1.
What is the InChIKey of (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AEBJJRXWGURBED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-6-4-11(5-7-12)16-14(18)8-10-17-9-2-3-13(17)15(19)20/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119910408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).