methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate

C19H23NO5 — CID 68684071

IUPACmethyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate
SMILESC=CCOc1c(CC=C)cc(C(=O)N2CC[C@@H]2C(=O)OC)cc1OC
InChIInChI=1S/C19H23NO5/c1-5-7-13-11-14(12-16(23-3)17(13)25-10-6-2)18(21)20-9-8-15(20)19(22)24-4/h5-6,11-12,15H,1-2,7-10H2,3-4H3/t15-/m1/s1
InChIKeyUGAAPRWXZVDEIJ-OAHLLOKOSA-N
MW345.40 g/mol
LogP2.38
Rot. Bonds8

About methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate

methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate (PubChem CID 68684071) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate
PubChem CID68684071
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namemethyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate
SMILESC=CCOc1c(CC=C)cc(C(=O)N2CC[C@@H]2C(=O)OC)cc1OC
InChIInChI=1S/C19H23NO5/c1-5-7-13-11-14(12-16(23-3)17(13)25-10-6-2)18(21)20-9-8-15(20)19(22)24-4/h5-6,11-12,15H,1-2,7-10H2,3-4H3/t15-/m1/s1
InChIKeyUGAAPRWXZVDEIJ-OAHLLOKOSA-N
XLogP2.38
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10471941
methyl (2R)-1-[3-[2-(dimethylamino)-2-oxoethyl]-4,5-dimethoxybenzoyl]azetidine-2-carboxylate
CID 68687693
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
(2R)-1-[3,4-dimethoxy-5-(3-prop-2-enoxypropyl)benzoyl]azetidine-2-carboxylic acid
CID 90842093
methyl 1-(3,4-dimethoxy-5-prop-1-ynylbenzoyl)azetidine-2-carboxylate
CID 68685300
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562615
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
(3,4-dimethoxy-5-prop-2-enylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572626
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone
CID 119624177
(2R)-1-[3-[2-(dimethylamino)-2-oxoethyl]-4,5-dimethoxybenzoyl]azetidine-2-carboxylic acid
CID 69352193
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone;hydrochloride
CID 119485915

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate (CID 68684071) is methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate is C=CCOc1c(CC=C)cc(C(=O)N2CC[C@@H]2C(=O)OC)cc1OC.
What is the InChIKey of methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate?
The InChIKey is UGAAPRWXZVDEIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO5/c1-5-7-13-11-14(12-16(23-3)17(13)25-10-6-2)18(21)20-9-8-15(20)19(22)24-4/h5-6,11-12,15H,1-2,7-10H2,3-4H3/t15-/m1/s1.
What are the key properties of methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate?
methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate is sourced from PubChem (CID 68684071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).