2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid

C13H15NO3 — CID 115039422

IUPAC2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO3/c15-12(16)9-10-5-4-8-14(13(10)17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,16)
InChIKeyAHSQKYQVKGXREV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.90
Rot. Bonds3

About 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid

2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid (PubChem CID 115039422) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
PubChem CID115039422
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO3/c15-12(16)9-10-5-4-8-14(13(10)17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,16)
InChIKeyAHSQKYQVKGXREV-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 115039420
2-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 19697197
(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975
3-amino-1-phenylazepan-2-one
CID 59657864
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-3-phenylpropanoic acid
CID 54262459
(2S)-2-methyl-3-oxo-3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]propanenitrile
CID 125451049
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
2-[[2-[1-(4-methanehydrazonoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]butanoic acid
CID 70087554
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid (CID 115039422) is 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid is O=C(O)CC1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid?
The InChIKey is AHSQKYQVKGXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(16)9-10-5-4-8-14(13(10)17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,16).
What are the key properties of 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid?
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 115039422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).