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

C18H18N2O4 — CID 120533820

IUPAC1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(OCc3ccccc3)nc2)C1
InChIInChI=1S/C18H18N2O4/c21-17(20-9-8-15(11-20)18(22)23)14-6-7-16(19-10-14)24-12-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,23)
InChIKeyMHXDFDPCEVTLAO-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.21
Rot. Bonds5

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

1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120533820) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120533820
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(OCc3ccccc3)nc2)C1
InChIInChI=1S/C18H18N2O4/c21-17(20-9-8-15(11-20)18(22)23)14-6-7-16(19-10-14)24-12-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,23)
InChIKeyMHXDFDPCEVTLAO-UHFFFAOYSA-N
XLogP2.21
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 94512813
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529089
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 56798532
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
1-(4-phenylmethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048489
1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354683

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 120533820) is 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(OCc3ccccc3)nc2)C1.
What is the InChIKey of 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MHXDFDPCEVTLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(20-9-8-15(11-20)18(22)23)14-6-7-16(19-10-14)24-12-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,23).
What are the key properties of 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120533820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).