methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate

C13H19NO4 — CID 11844508

IUPACmethyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO4/c1-16-11-5-4-10(12(8-11)17-2)9-14-7-6-13(15)18-3/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyYTQUPBNQYZLYPX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.36
Rot. Bonds7

About methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate

methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate (PubChem CID 11844508) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
PubChem CID11844508
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO4/c1-16-11-5-4-10(12(8-11)17-2)9-14-7-6-13(15)18-3/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyYTQUPBNQYZLYPX-UHFFFAOYSA-N
XLogP1.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103641097
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
2-amino-4-[(2,4-dimethoxyphenyl)methylamino]butanoic acid
CID 115241190

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate (CID 11844508) is methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate is COC(=O)CCNCc1ccc(OC)cc1OC.
What is the InChIKey of methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate?
The InChIKey is YTQUPBNQYZLYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-11-5-4-10(12(8-11)17-2)9-14-7-6-13(15)18-3/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate?
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 11844508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).