ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate

C16H24N2O3 — CID 54299975

IUPACethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1CCc1cc(N)ccc1OC
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-4-5-14(18)8-6-12-11-13(17)7-9-15(12)20-2/h7,9,11,14H,3-6,8,10,17H2,1-2H3
InChIKeySDMPAIMNBLYKLJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.83
Rot. Bonds5

About ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate

ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 54299975) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate
PubChem CID54299975
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1CCc1cc(N)ccc1OC
InChIInChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-4-5-14(18)8-6-12-11-13(17)7-9-15(12)20-2/h7,9,11,14H,3-6,8,10,17H2,1-2H3
InChIKeySDMPAIMNBLYKLJ-UHFFFAOYSA-N
XLogP2.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
(2S)-2-[(5-amino-2-methoxyphenoxy)methyl]pyrrolidine-1-carboxylic acid
CID 69082020
ethyl (2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 10524872
ethyl 2-[(2,5-dimethylphenyl)methyl]pyrrolidine-1-carboxylate
CID 110411236
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 95158836
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 79836514
tert-butyl 2-[(3-amino-4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 82279506
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate (CID 54299975) is ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1CCc1cc(N)ccc1OC.
What is the InChIKey of ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is SDMPAIMNBLYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-16(19)18-10-4-5-14(18)8-6-12-11-13(17)7-9-15(12)20-2/h7,9,11,14H,3-6,8,10,17H2,1-2H3.
What are the key properties of ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate?
ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-amino-2-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 54299975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).