methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate

C12H15NO6 — CID 43422798

IUPACmethyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C12H15NO6/c1-18-7-3-4-10(15)8(5-7)11(16)13-9(6-14)12(17)19-2/h3-5,9,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyJZTFFKGVVAXMEX-UHFFFAOYSA-N
MW269.25 g/mol
LogP-0.34
Rot. Bonds5

About methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate

methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate (PubChem CID 43422798) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
PubChem CID43422798
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Namemethyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C12H15NO6/c1-18-7-3-4-10(15)8(5-7)11(16)13-9(6-14)12(17)19-2/h3-5,9,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyJZTFFKGVVAXMEX-UHFFFAOYSA-N
XLogP-0.34
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 43357821
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate
CID 10125583
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate
CID 75448580
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate (CID 43422798) is methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate is COC(=O)C(CO)NC(=O)c1cc(OC)ccc1O.
What is the InChIKey of methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate?
The InChIKey is JZTFFKGVVAXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-18-7-3-4-10(15)8(5-7)11(16)13-9(6-14)12(17)19-2/h3-5,9,14-15H,6H2,1-2H3,(H,13,16).
What are the key properties of methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate?
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate has a molecular weight of 269.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 43422798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).