3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

C19H20N2O4 — CID 120529089

IUPAC3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc(OCc3ccccc3)nc2)C1
InChIInChI=1S/C19H20N2O4/c1-19(18(23)24)9-10-21(13-19)17(22)15-7-8-16(20-11-15)25-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyFIAVQPFXSYSHPV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.60
Rot. Bonds5

About 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120529089) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120529089
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc(OCc3ccccc3)nc2)C1
InChIInChI=1S/C19H20N2O4/c1-19(18(23)24)9-10-21(13-19)17(22)15-7-8-16(20-11-15)25-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyFIAVQPFXSYSHPV-UHFFFAOYSA-N
XLogP2.60
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
3-methyl-1-[2-(2-phenylmethoxyphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119256206
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
3-methyl-1-(4-pyridin-2-yloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 154845457
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
8,8-dimethyl-9-oxo-4-(6-phenylmethoxypyridine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 169024209
3-methyl-1-[4-(phenylsulfanylmethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256669
3-methyl-1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529248
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 120529089) is 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2ccc(OCc3ccccc3)nc2)C1.
What is the InChIKey of 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FIAVQPFXSYSHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19(18(23)24)9-10-21(13-19)17(22)15-7-8-16(20-11-15)25-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,23,24).
What are the key properties of 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).