methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate

C15H20N2O4 — CID 61094210

IUPACmethyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)13-6-3-8-17(13)14(18)7-9-21-12-5-2-4-11(16)10-12/h2,4-5,10,13H,3,6-9,16H2,1H3
InChIKeyDNPRYYXYFGUNCK-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.20
Rot. Bonds5

About methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate

methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 61094210) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate
PubChem CID61094210
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)13-6-3-8-17(13)14(18)7-9-21-12-5-2-4-11(16)10-12/h2,4-5,10,13H,3,6-9,16H2,1H3
InChIKeyDNPRYYXYFGUNCK-UHFFFAOYSA-N
XLogP1.20
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[3-(3-aminophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 80704732
3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 61090343
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 61103114
2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123166
2-(3-aminophenoxy)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 62886053
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992
(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60529591
3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 61095087
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate (CID 61094210) is methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)CCOc1cccc(N)c1.
What is the InChIKey of methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is DNPRYYXYFGUNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-15(19)13-6-3-8-17(13)14(18)7-9-21-12-5-2-4-11(16)10-12/h2,4-5,10,13H,3,6-9,16H2,1H3.
What are the key properties of methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate?
methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 61094210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).