2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid

C15H18N2O4 — CID 60832506

IUPAC2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
SMILESCCN1CC(C(=O)N(CC(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C15H18N2O4/c1-2-16-9-11(8-13(16)18)15(21)17(10-14(19)20)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,19,20)
InChIKeyDUNDZYMLWZWEOY-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.97
Rot. Bonds5

About 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid

2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid (PubChem CID 60832506) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
PubChem CID60832506
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
SMILESCCN1CC(C(=O)N(CC(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C15H18N2O4/c1-2-16-9-11(8-13(16)18)15(21)17(10-14(19)20)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,19,20)
InChIKeyDUNDZYMLWZWEOY-UHFFFAOYSA-N
XLogP0.97
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79280113
1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17081121
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
N-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113184432
N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113183127
2-[[(3S,4R)-1-[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129346985
3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 62826701
N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120494
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818498
1-[(4-methylphenyl)methyl]-5-oxo-N-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 55921246

Frequently Asked Questions

What is the IUPAC name of 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid (CID 60832506) is 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid is CCN1CC(C(=O)N(CC(=O)O)c2ccccc2)CC1=O.
What is the InChIKey of 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid?
The InChIKey is DUNDZYMLWZWEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-16-9-11(8-13(16)18)15(21)17(10-14(19)20)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,19,20).
What are the key properties of 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid?
2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60832506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).