methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate

C14H20N2O4 — CID 104782621

IUPACmethyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-9(14(18)20-4)8-16(2)13(17)10-5-6-11(15)12(7-10)19-3/h5-7,9H,8,15H2,1-4H3
InChIKeyPCTUQFWPSXZPLT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.16
Rot. Bonds5

About methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate

methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate (PubChem CID 104782621) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
PubChem CID104782621
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-9(14(18)20-4)8-16(2)13(17)10-5-6-11(15)12(7-10)19-3/h5-7,9H,8,15H2,1-4H3
InChIKeyPCTUQFWPSXZPLT-UHFFFAOYSA-N
XLogP1.16
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(3-bromo-4-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 103707468
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methoxy-N,4-dimethylbenzamide
CID 54991962
methyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 66463709
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 104782581
methyl 4-amino-3-methoxybenzoate
CID 602411
4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
CID 104783050
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate
CID 114822109
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate (CID 104782621) is methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate?
The InChIKey is PCTUQFWPSXZPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(14(18)20-4)8-16(2)13(17)10-5-6-11(15)12(7-10)19-3/h5-7,9H,8,15H2,1-4H3.
What are the key properties of methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate?
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate has a molecular weight of 280.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 104782621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).