methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate

C13H18N2O4 — CID 119726463

IUPACmethyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
SMILESCNCC(=O)NCc1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C13H18N2O4/c1-14-8-12(16)15-7-9-4-5-11(18-2)10(6-9)13(17)19-3/h4-6,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyDVCFNALKOYOEPC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds6

About methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate

methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate (PubChem CID 119726463) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
PubChem CID119726463
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
SMILESCNCC(=O)NCc1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C13H18N2O4/c1-14-8-12(16)15-7-9-4-5-11(18-2)10(6-9)13(17)19-3/h4-6,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyDVCFNALKOYOEPC-UHFFFAOYSA-N
XLogP0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate 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 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate
CID 18158808
N-[(5-ethyl-2-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 98784014
methyl 5-[(but-2-ynoylamino)methyl]-2-methoxybenzoate
CID 146076174
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
methyl 5-[[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]methyl]-2-methoxybenzoate
CID 27819912
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
CID 27817531
methyl 2-methoxy-5-[[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111376377
methyl 2-methoxy-5-[[[2-(2-nitrophenyl)acetyl]amino]methyl]benzoate
CID 27817613
methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate
CID 51179291
methyl 5-[[(2,2-difluoro-3-hydroxy-3-methylbutanoyl)amino]methyl]-2-methoxybenzoate
CID 100610786
N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119858622

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate (CID 119726463) is methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate is CNCC(=O)NCc1ccc(OC)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate?
The InChIKey is DVCFNALKOYOEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-14-8-12(16)15-7-9-4-5-11(18-2)10(6-9)13(17)19-3/h4-6,14H,7-8H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate?
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate has a molecular weight of 266.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 119726463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).