2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid

C18H20N2O3 — CID 168942281

IUPAC2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1cccc(OCc2ccccc2)n1
InChIInChI=1S/C18H20N2O3/c21-18(22)12-15-8-5-11-20(15)16-9-4-10-17(19-16)23-13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,21,22)
InChIKeyBRXIGABNEJDZRS-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.10
Rot. Bonds6

About 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid

2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid (PubChem CID 168942281) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid
PubChem CID168942281
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1cccc(OCc2ccccc2)n1
InChIInChI=1S/C18H20N2O3/c21-18(22)12-15-8-5-11-20(15)16-9-4-10-17(19-16)23-13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,21,22)
InChIKeyBRXIGABNEJDZRS-UHFFFAOYSA-N
XLogP3.10
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]acetate
CID 63587218
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66333388
2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348447
2-[(2S)-1-[2-[(2-methylphenyl)methoxy]-4-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 58218579
methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate
CID 168942077
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
2-[(2S)-1-[4-[[3-(2-fluorophenoxy)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218656
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 138030149
3-[(2R)-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]propanoic acid
CID 167229589
3-[(2S)-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]propanoic acid
CID 167228887
2-[1-[5-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
CID 116976841
2-[2-(chloromethyl)piperidin-1-yl]-6-ethoxypyridine
CID 55212201

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid (CID 168942281) is 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1c1cccc(OCc2ccccc2)n1.
What is the InChIKey of 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is BRXIGABNEJDZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(22)12-15-8-5-11-20(15)16-9-4-10-17(19-16)23-13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,21,22).
What are the key properties of 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 168942281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).