methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate

C15H20N2O4 — CID 81094450

IUPACmethyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc(N)cc(OC)c2)CC1C
InChIInChI=1S/C15H20N2O4/c1-9-7-17(8-13(9)15(19)21-3)14(18)10-4-11(16)6-12(5-10)20-2/h4-6,9,13H,7-8,16H2,1-3H3
InChIKeyURUKFNKTMFIKJM-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.16
Rot. Bonds3

About methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate

methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate (PubChem CID 81094450) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate
PubChem CID81094450
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc(N)cc(OC)c2)CC1C
InChIInChI=1S/C15H20N2O4/c1-9-7-17(8-13(9)15(19)21-3)14(18)10-4-11(16)6-12(5-10)20-2/h4-6,9,13H,7-8,16H2,1-3H3
InChIKeyURUKFNKTMFIKJM-UHFFFAOYSA-N
XLogP1.16
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.16
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

(3-amino-5-methoxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210906
methyl 1-(4-amino-3-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 107075695
methyl (3S,4S)-1-(4-bromobenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 122139680
(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 122132864
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092592
methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 115694818
(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 81091094
(3-amino-5-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 81090979
(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81093481
(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530161
methyl 1-(2-cyano-5-methoxyphenyl)-4-methylpyrrolidine-3-carboxylate
CID 81305704
methyl 1-but-2-ynoyl-4-methylpyrrolidine-3-carboxylate
CID 107991040

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate (CID 81094450) is methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate is COC(=O)C1CN(C(=O)c2cc(N)cc(OC)c2)CC1C.
What is the InChIKey of methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate?
The InChIKey is URUKFNKTMFIKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-7-17(8-13(9)15(19)21-3)14(18)10-4-11(16)6-12(5-10)20-2/h4-6,9,13H,7-8,16H2,1-3H3.
What are the key properties of methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate?
methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 81094450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).