2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid

C14H15NO3 — CID 12698989

IUPAC2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid
SMILESC=C1CCCN(C(C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C14H15NO3/c1-10-6-5-9-15(13(10)16)12(14(17)18)11-7-3-2-4-8-11/h2-4,7-8,12H,1,5-6,9H2,(H,17,18)
InChIKeyRTXKHNCMHJDBDN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds3

About 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid

2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid (PubChem CID 12698989) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid
PubChem CID12698989
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid
SMILESC=C1CCCN(C(C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C14H15NO3/c1-10-6-5-9-15(13(10)16)12(14(17)18)11-7-3-2-4-8-11/h2-4,7-8,12H,1,5-6,9H2,(H,17,18)
InChIKeyRTXKHNCMHJDBDN-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
CID 156875681
2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid
CID 84750442
2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid
CID 12698988
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
1-[phenyl(phenylsulfanyl)methyl]pyrrolidin-2-one
CID 123241673
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid
CID 24688909
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid
CID 67904811
(2S)-2-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)-2-phenylacetic acid
CID 91691043
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56574475

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid (CID 12698989) is 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid is C=C1CCCN(C(C(=O)O)c2ccccc2)C1=O.
What is the InChIKey of 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid?
The InChIKey is RTXKHNCMHJDBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-6-5-9-15(13(10)16)12(14(17)18)11-7-3-2-4-8-11/h2-4,7-8,12H,1,5-6,9H2,(H,17,18).
What are the key properties of 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid?
2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 12698989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).