1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

C19H24N2O5 — CID 119251618

IUPAC1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(O)(C(=O)O)CC2)CC1=O
InChIInChI=1S/C19H24N2O5/c1-2-13-5-3-4-6-15(13)21-12-14(11-16(21)22)17(23)20-9-7-19(26,8-10-20)18(24)25/h3-6,14,26H,2,7-12H2,1H3,(H,24,25)
InChIKeyMNPBEPBNIPCLFR-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.04
Rot. Bonds4

About 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251618) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251618
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(O)(C(=O)O)CC2)CC1=O
InChIInChI=1S/C19H24N2O5/c1-2-13-5-3-4-6-15(13)21-12-14(11-16(21)22)17(23)20-9-7-19(26,8-10-20)18(24)25/h3-6,14,26H,2,7-12H2,1H3,(H,24,25)
InChIKeyMNPBEPBNIPCLFR-UHFFFAOYSA-N
XLogP1.04
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 120805051
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17120290
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
1-(2-ethylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56544658
(4R)-1-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9081525
(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195
N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 55932291

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251618) is 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is CCc1ccccc1N1CC(C(=O)N2CCC(O)(C(=O)O)CC2)CC1=O.
What is the InChIKey of 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is MNPBEPBNIPCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-2-13-5-3-4-6-15(13)21-12-14(11-16(21)22)17(23)20-9-7-19(26,8-10-20)18(24)25/h3-6,14,26H,2,7-12H2,1H3,(H,24,25).
What are the key properties of 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).