methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate

C15H19NO4 — CID 84581076

IUPACmethyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-19-15(18)12-7-9-16(11-12)14(17)8-10-20-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyVYVUKRQGXIGHEL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.48
Rot. Bonds5

About methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate

methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate (PubChem CID 84581076) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
PubChem CID84581076
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-19-15(18)12-7-9-16(11-12)14(17)8-10-20-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyVYVUKRQGXIGHEL-UHFFFAOYSA-N
XLogP1.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate (CID 84581076) is methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate?
The InChIKey is VYVUKRQGXIGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-15(18)12-7-9-16(11-12)14(17)8-10-20-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate?
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 84581076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).