1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid

C17H21N3O4 — CID 119909551

IUPAC1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCCC1C(=O)O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H21N3O4/c21-15(11-19-8-2-6-14(19)17(23)24)18-12-4-1-5-13(10-12)20-9-3-7-16(20)22/h1,4-5,10,14H,2-3,6-9,11H2,(H,18,21)(H,23,24)
InChIKeyCTXIKUJUPBAXHK-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid

1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119909551) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
PubChem CID119909551
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCCC1C(=O)O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H21N3O4/c21-15(11-19-8-2-6-14(19)17(23)24)18-12-4-1-5-13(10-12)20-9-3-7-16(20)22/h1,4-5,10,14H,2-3,6-9,11H2,(H,18,21)(H,23,24)
InChIKeyCTXIKUJUPBAXHK-UHFFFAOYSA-N
XLogP1.30
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
CID 119909357
2-[(3R,8aS)-3-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 167781665
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46596271
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
1-cyclopentyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71912128
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid (CID 119909551) is 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCCC1C(=O)O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CTXIKUJUPBAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-15(11-19-8-2-6-14(19)17(23)24)18-12-4-1-5-13(10-12)20-9-3-7-16(20)22/h1,4-5,10,14H,2-3,6-9,11H2,(H,18,21)(H,23,24).
What are the key properties of 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid?
1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119909551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).