1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid

C18H20N2O3 — CID 169109303

IUPAC1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(Cn3ccccc3=O)cc2)C1
InChIInChI=1S/C18H20N2O3/c21-17-3-1-2-9-20(17)12-15-6-4-14(5-7-15)11-19-10-8-16(13-19)18(22)23/h1-7,9,16H,8,10-13H2,(H,22,23)
InChIKeyBNHYJSSYBOMYOV-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.80
Rot. Bonds5

About 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid

1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 169109303) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID169109303
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(Cn3ccccc3=O)cc2)C1
InChIInChI=1S/C18H20N2O3/c21-17-3-1-2-9-20(17)12-15-6-4-14(5-7-15)11-19-10-8-16(13-19)18(22)23/h1-7,9,16H,8,10-13H2,(H,22,23)
InChIKeyBNHYJSSYBOMYOV-UHFFFAOYSA-N
XLogP1.80
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 124703095
1-[(4-cyanophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 55149332
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 166534947
fluoro 1-benzylpyrrolidine-3-carboxylate
CID 143050363
1-[(4-phenylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035787
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid (CID 169109303) is 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2ccc(Cn3ccccc3=O)cc2)C1.
What is the InChIKey of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BNHYJSSYBOMYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-3-1-2-9-20(17)12-15-6-4-14(5-7-15)11-19-10-8-16(13-19)18(22)23/h1-7,9,16H,8,10-13H2,(H,22,23).
What are the key properties of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid?
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 169109303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).