2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid

C13H16N2O4 — CID 62000482

IUPAC2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
SMILESCOC(=O)c1cccnc1N1CCCC1CC(=O)O
InChIInChI=1S/C13H16N2O4/c1-19-13(18)10-5-2-6-14-12(10)15-7-3-4-9(15)8-11(16)17/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,17)
InChIKeyZJRFYNIEPNJPSL-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.31
Rot. Bonds4

About 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid

2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid (PubChem CID 62000482) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
PubChem CID62000482
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
SMILESCOC(=O)c1cccnc1N1CCCC1CC(=O)O
InChIInChI=1S/C13H16N2O4/c1-19-13(18)10-5-2-6-14-12(10)15-7-3-4-9(15)8-11(16)17/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,17)
InChIKeyZJRFYNIEPNJPSL-UHFFFAOYSA-N
XLogP1.31
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
CID 107070379
2-[1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61371100
1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742638
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
CID 114055606
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
methyl 2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]acetate
CID 83063502
2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid
CID 104729407
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63855115
2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 40637940
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid (CID 62000482) is 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid is COC(=O)c1cccnc1N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is ZJRFYNIEPNJPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)10-5-2-6-14-12(10)15-7-3-4-9(15)8-11(16)17/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 62000482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).