methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate

C12H16N2O5 — CID 107222746

IUPACmethyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H16N2O5/c1-18-7-3-4-8(9(13)5-7)11(16)14-6-10(15)12(17)19-2/h3-5,10,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyGBJJSSCDBPCPJQ-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.46
Rot. Bonds5

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

methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate (PubChem CID 107222746) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
PubChem CID107222746
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namemethyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H16N2O5/c1-18-7-3-4-8(9(13)5-7)11(16)14-6-10(15)12(17)19-2/h3-5,10,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyGBJJSSCDBPCPJQ-UHFFFAOYSA-N
XLogP-0.46
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
CID 113305193
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate (CID 107222746) is methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1ccc(OC)cc1N.
What is the InChIKey of methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate?
The InChIKey is GBJJSSCDBPCPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-7-3-4-8(9(13)5-7)11(16)14-6-10(15)12(17)19-2/h3-5,10,15H,6,13H2,1-2H3,(H,14,16).
What are the key properties of methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate?
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate has a molecular weight of 268.27 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107222746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).