methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate

C15H19NO3 — CID 68685528

IUPACmethyl 1-(3-propylbenzoyl)azetidine-2-carboxylate
SMILESCCCc1cccc(C(=O)N2CCC2C(=O)OC)c1
InChIInChI=1S/C15H19NO3/c1-3-5-11-6-4-7-12(10-11)14(17)16-9-8-13(16)15(18)19-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3
InChIKeyUTVIDRMWXFSLME-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.03
Rot. Bonds4

About methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate

methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate (PubChem CID 68685528) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-propylbenzoyl)azetidine-2-carboxylate
PubChem CID68685528
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 1-(3-propylbenzoyl)azetidine-2-carboxylate
SMILESCCCc1cccc(C(=O)N2CCC2C(=O)OC)c1
InChIInChI=1S/C15H19NO3/c1-3-5-11-6-4-7-12(10-11)14(17)16-9-8-13(16)15(18)19-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3
InChIKeyUTVIDRMWXFSLME-UHFFFAOYSA-N
XLogP2.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl (2R,4S)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 50979069
methyl (2S,4R)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 133127407
(2R)-1-(3-methoxy-5-propylbenzoyl)azetidine-2-carboxylic acid
CID 91068829
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
methyl 3-propylbenzoate
CID 12861009
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide
CID 70788441
methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
CID 95623292

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate (CID 68685528) is methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate is CCCc1cccc(C(=O)N2CCC2C(=O)OC)c1.
What is the InChIKey of methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate?
The InChIKey is UTVIDRMWXFSLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-5-11-6-4-7-12(10-11)14(17)16-9-8-13(16)15(18)19-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3.
What are the key properties of methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate?
methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate is sourced from PubChem (CID 68685528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).