2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid

C16H22N2O3 — CID 60839940

IUPAC2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid
SMILESCC(C(=O)N1CCCCC1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(16(21)17-10-6-3-7-11-17)18(12-15(19)20)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,20)
InChIKeyCJUSVDBAKZYEAR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds5

About 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid

2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid (PubChem CID 60839940) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid
PubChem CID60839940
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid
SMILESCC(C(=O)N1CCCCC1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(16(21)17-10-6-3-7-11-17)18(12-15(19)20)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,20)
InChIKeyCJUSVDBAKZYEAR-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid
CID 60840589
2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
2-[N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65059237
2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 63233777
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
2-[cyclopentyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetic acid
CID 60833964
2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953
2-[N-(dihydroxymethyl)anilino]acetic acid
CID 118193516
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-prop-2-enylamino]acetic acid
CID 79276444

Frequently Asked Questions

What is the IUPAC name of 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid?
The IUPAC name of 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid (CID 60839940) is 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid?
The canonical SMILES for 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid is CC(C(=O)N1CCCCC1)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid?
The InChIKey is CJUSVDBAKZYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(16(21)17-10-6-3-7-11-17)18(12-15(19)20)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid?
2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid is sourced from PubChem (CID 60839940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).