4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C19H20N2O4 — CID 119182996

IUPAC4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCOc1ccccc1CC1CCCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C19H20N2O4/c1-25-17-7-3-2-5-13(17)11-15-6-4-10-21(15)18(22)14-8-9-20-16(12-14)19(23)24/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,23,24)
InChIKeyNVUPTUFQNYZDSM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.64
Rot. Bonds5

About 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119182996) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119182996
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCOc1ccccc1CC1CCCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C19H20N2O4/c1-25-17-7-3-2-5-13(17)11-15-6-4-10-21(15)18(22)14-8-9-20-16(12-14)19(23)24/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,23,24)
InChIKeyNVUPTUFQNYZDSM-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055471
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
[4-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 94840195
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 21062067
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 136579748
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124687010

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119182996) is 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is COc1ccccc1CC1CCCN1C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is NVUPTUFQNYZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-17-7-3-2-5-13(17)11-15-6-4-10-21(15)18(22)14-8-9-20-16(12-14)19(23)24/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,23,24).
What are the key properties of 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119182996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).