methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate

C13H18N2O5 — CID 107211898

IUPACmethyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)COc1ccccc1CN
InChIInChI=1S/C13H18N2O5/c1-19-13(18)10(16)7-15-12(17)8-20-11-5-3-2-4-9(11)6-14/h2-5,10,16H,6-8,14H2,1H3,(H,15,17)
InChIKeyVNUJQXVYWQGOOZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.83
Rot. Bonds7

About methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate

methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate (PubChem CID 107211898) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate
PubChem CID107211898
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)COc1ccccc1CN
InChIInChI=1S/C13H18N2O5/c1-19-13(18)10(16)7-15-12(17)8-20-11-5-3-2-4-9(11)6-14/h2-5,10,16H,6-8,14H2,1H3,(H,15,17)
InChIKeyVNUJQXVYWQGOOZ-UHFFFAOYSA-N
XLogP-0.83
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate 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

2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
2-[2-(aminomethyl)phenoxy]-N-(3-methylpentan-2-yl)acetamide
CID 61463337
3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106274772
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63295676
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
CID 106164586
N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 115267431

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate (CID 107211898) is methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)COc1ccccc1CN.
What is the InChIKey of methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate?
The InChIKey is VNUJQXVYWQGOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-13(18)10(16)7-15-12(17)8-20-11-5-3-2-4-9(11)6-14/h2-5,10,16H,6-8,14H2,1H3,(H,15,17).
What are the key properties of methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate?
methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate has a molecular weight of 282.30 g/mol, XLogP of -0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 107211898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).