3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid

C15H18N2O4 — CID 60844380

IUPAC3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid
SMILESCc1ccc(N(CCC(=O)O)C(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C15H18N2O4/c1-10-2-4-11(5-3-10)17(9-8-14(19)20)15(21)12-6-7-13(18)16-12/h2-5,12H,6-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyBMDJUZIDWUSTTO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.08
Rot. Bonds5

About 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid

3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid (PubChem CID 60844380) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid
PubChem CID60844380
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid
SMILESCc1ccc(N(CCC(=O)O)C(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C15H18N2O4/c1-10-2-4-11(5-3-10)17(9-8-14(19)20)15(21)12-6-7-13(18)16-12/h2-5,12H,6-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyBMDJUZIDWUSTTO-UHFFFAOYSA-N
XLogP1.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]anilino]propanoic acid
CID 107530294
3-[N-[3-(cyclopropylamino)propanoyl]-4-methylanilino]propanoic acid
CID 61162416
3-[4-methyl-N-[3-(propan-2-ylamino)propanoyl]anilino]propanoic acid
CID 61159717
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
5-(4-methylbenzoyl)pyrrolidin-2-one
CID 86062507
3-(N-(2-methoxy-2-methylpropanoyl)-4-methylanilino)propanoic acid
CID 103018278
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
3-(N-(2-acetamidoacetyl)-4-methylanilino)propanoic acid
CID 60844379
(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 28739228
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
N-ethyl-N-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 76876121
N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 56689515

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid?
The IUPAC name of 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid (CID 60844380) is 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid.
What is the SMILES notation for 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid?
The canonical SMILES for 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid is Cc1ccc(N(CCC(=O)O)C(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid?
The InChIKey is BMDJUZIDWUSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-2-4-11(5-3-10)17(9-8-14(19)20)15(21)12-6-7-13(18)16-12/h2-5,12H,6-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid?
3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid is sourced from PubChem (CID 60844380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).