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

C12H16N2O5 — CID 107211629

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

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

methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate (PubChem CID 107211629) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
PubChem CID107211629
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namemethyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C12H16N2O5/c1-18-10-5-7(3-4-8(10)13)11(16)14-6-9(15)12(17)19-2/h3-5,9,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyIBNQJOJBKUGIDC-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

4-amino-N-(2,2-dicyclopropylethyl)-3-methoxybenzamide
CID 104783034
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
methyl 2-hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)propanoate
CID 107222796
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate (CID 107211629) is methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate?
The InChIKey is IBNQJOJBKUGIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-10-5-7(3-4-8(10)13)11(16)14-6-9(15)12(17)19-2/h3-5,9,15H,6,13H2,1-2H3,(H,14,16).
What are the key properties of methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate?
methyl 3-[(4-amino-3-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-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107211629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).