(2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid

C15H19NO4 — CID 91068829

IUPAC(2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid
SMILESCCCc1cc(OC)cc(C(=O)N2CC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-3-4-10-7-11(9-12(8-10)20-2)14(17)16-6-5-13(16)15(18)19/h7-9,13H,3-6H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyLIPKFVOOXMSIOJ-CYBMUJFWSA-N
MW277.32 g/mol
LogP1.95
Rot. Bonds5

About (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid

(2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid (PubChem CID 91068829) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid
PubChem CID91068829
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid
SMILESCCCc1cc(OC)cc(C(=O)N2CC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-3-4-10-7-11(9-12(8-10)20-2)14(17)16-6-5-13(16)15(18)19/h7-9,13H,3-6H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyLIPKFVOOXMSIOJ-CYBMUJFWSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate
CID 68685528
(2R)-1-(3-bromo-4,5-dimethoxybenzoyl)azetidine-2-carboxylic acid
CID 69378911
(2R)-1-(3-iodo-4,5-dimethoxybenzoyl)azetidine-2-carboxylic acid
CID 90823192
(2R,4R)-1-(3,5-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30045466
1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421987
(2R)-1-[3-[2-(dimethylamino)-2-oxoethyl]-4,5-dimethoxybenzoyl]azetidine-2-carboxylic acid
CID 69352193
(2S)-1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61136443
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
(2R)-1-[3,4-dimethoxy-5-(3-prop-2-enoxypropyl)benzoyl]azetidine-2-carboxylic acid
CID 90842093
(2S,4S)-1-(3-methoxybenzoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
CID 97415451
1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119355480
(2S)-1-(3-ethoxy-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61137975

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid (CID 91068829) is (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid is CCCc1cc(OC)cc(C(=O)N2CC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid?
The InChIKey is LIPKFVOOXMSIOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-4-10-7-11(9-12(8-10)20-2)14(17)16-6-5-13(16)15(18)19/h7-9,13H,3-6H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid?
(2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 91068829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).