4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid

C19H24N2O4 — CID 78085040

IUPAC4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1C1CN(C(=O)CN2CCCCC2=O)CC1C(=O)O
InChIInChI=1S/C19H24N2O4/c1-13-6-2-3-7-14(13)15-10-21(11-16(15)19(24)25)18(23)12-20-9-5-4-8-17(20)22/h2-3,6-7,15-16H,4-5,8-12H2,1H3,(H,24,25)
InChIKeyBVHYGUCIUXAWBF-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.63
Rot. Bonds4

About 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid

4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 78085040) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID78085040
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1C1CN(C(=O)CN2CCCCC2=O)CC1C(=O)O
InChIInChI=1S/C19H24N2O4/c1-13-6-2-3-7-14(13)15-10-21(11-16(15)19(24)25)18(23)12-20-9-5-4-8-17(20)22/h2-3,6-7,15-16H,4-5,8-12H2,1H3,(H,24,25)
InChIKeyBVHYGUCIUXAWBF-UHFFFAOYSA-N
XLogP1.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(2-methylphenyl)-1-[2-(5-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 70779290
1-[2-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72842921
(3S,4R)-1-(1-acetylpiperidine-4-carbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70709412
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 14615409
(3R,4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 7145897
(3S,4R)-4-(2-methylphenyl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 70734554
1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95145336
(3S,4R)-4-phenyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 166299597
(3S,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70776574
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
(3S,4R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70769598
1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 78085040) is 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid is Cc1ccccc1C1CN(C(=O)CN2CCCCC2=O)CC1C(=O)O.
What is the InChIKey of 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BVHYGUCIUXAWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-6-2-3-7-14(13)15-10-21(11-16(15)19(24)25)18(23)12-20-9-5-4-8-17(20)22/h2-3,6-7,15-16H,4-5,8-12H2,1H3,(H,24,25).
What are the key properties of 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 78085040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).