3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid

C17H22N2O5 — CID 166278051

IUPAC3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)N2CC(OCc3ccccc3)C2)C1
InChIInChI=1S/C17H22N2O5/c1-23-17(15(20)21)7-8-18(12-17)16(22)19-9-14(10-19)24-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,21)
InChIKeyWPKWAAXSGMEVHV-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.18
Rot. Bonds5

About 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid

3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 166278051) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID166278051
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)N2CC(OCc3ccccc3)C2)C1
InChIInChI=1S/C17H22N2O5/c1-23-17(15(20)21)7-8-18(12-17)16(22)19-9-14(10-19)24-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,21)
InChIKeyWPKWAAXSGMEVHV-UHFFFAOYSA-N
XLogP1.18
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 166278049
1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
CID 58371984
(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid
CID 166278055
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
CID 166324342
[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
CID 118786113
1-(2-chloro-3-methylbenzoyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 136556545
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
CID 10706618
4-but-2-ynoyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 45164965
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 163720538
1-[3-fluoro-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 172889159

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 166278051) is 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid is COC1(C(=O)O)CCN(C(=O)N2CC(OCc3ccccc3)C2)C1.
What is the InChIKey of 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WPKWAAXSGMEVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-23-17(15(20)21)7-8-18(12-17)16(22)19-9-14(10-19)24-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,21).
What are the key properties of 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166278051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).