2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid

C16H22N2O3 — CID 60840589

IUPAC2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-5-7-14(8-6-12)18(11-15(19)20)13(2)16(21)17-9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyQKSJZEVDJJJNKN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.90
Rot. Bonds5

About 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid

2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid (PubChem CID 60840589) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid
PubChem CID60840589
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-5-7-14(8-6-12)18(11-15(19)20)13(2)16(21)17-9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyQKSJZEVDJJJNKN-UHFFFAOYSA-N
XLogP1.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid
CID 60839940
2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 63233777
2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
2-(4-methyl-N-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60840590
2-[4-methyl-N-(5-methylhexan-2-yl)anilino]acetic acid
CID 65059313
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
2-[N-[1-(furan-2-yl)ethyl]-4-methylanilino]acetic acid
CID 65059021
2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid
CID 43656828
2-[cyclopentyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetic acid
CID 60833964
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid (CID 60840589) is 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid is Cc1ccc(N(CC(=O)O)C(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid?
The InChIKey is QKSJZEVDJJJNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-5-7-14(8-6-12)18(11-15(19)20)13(2)16(21)17-9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid?
2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid is sourced from PubChem (CID 60840589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).