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

C17H21N3O4 — CID 119909357

IUPAC1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCCC1C(=O)O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C17H21N3O4/c21-15(11-19-9-3-7-14(19)17(23)24)18-12-5-1-2-6-13(12)20-10-4-8-16(20)22/h1-2,5-6,14H,3-4,7-11H2,(H,18,21)(H,23,24)
InChIKeySMLUIDNBHWRRAZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.30
Rot. Bonds5

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

1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119909357) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
PubChem CID119909357
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCCC1C(=O)O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C17H21N3O4/c21-15(11-19-9-3-7-14(19)17(23)24)18-12-5-1-2-6-13(12)20-10-4-8-16(20)22/h1-2,5-6,14H,3-4,7-11H2,(H,18,21)(H,23,24)
InChIKeySMLUIDNBHWRRAZ-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-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41359869
2-(2-benzylpyrrolidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51339357
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 136523186
1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
CID 119909551
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55917018
2-(4-hydroxypiperidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41335965
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 42541856
1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
1-[2-(2-fluoroanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563162

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid (CID 119909357) is 1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCCC1C(=O)O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SMLUIDNBHWRRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-15(11-19-9-3-7-14(19)17(23)24)18-12-5-1-2-6-13(12)20-10-4-8-16(20)22/h1-2,5-6,14H,3-4,7-11H2,(H,18,21)(H,23,24).
What are the key properties of 1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid?
1-[2-oxo-2-[2-(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-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119909357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).