methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate

C13H17NO6 — CID 84581659

IUPACmethyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)NC(C(=O)OC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO6/c1-18-9-6-4-8(5-7-9)11(15)10(12(16)19-2)14-13(17)20-3/h4-7,10-11,15H,1-3H3,(H,14,17)
InChIKeyYGXPGXYLKTVVOD-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.63
Rot. Bonds5

About methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate

methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate (PubChem CID 84581659) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate
PubChem CID84581659
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namemethyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)NC(C(=O)OC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO6/c1-18-9-6-4-8(5-7-9)11(15)10(12(16)19-2)14-13(17)20-3/h4-7,10-11,15H,1-3H3,(H,14,17)
InChIKeyYGXPGXYLKTVVOD-UHFFFAOYSA-N
XLogP0.63
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138474448
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 84579662
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate
CID 84581693
(2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 14110515
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl 3-hydroxy-2-[(3-hydroxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 84582172
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(methylsulfanylmethyl)propanoate
CID 10754521
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate (CID 84581659) is methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate is COC(=O)NC(C(=O)OC)C(O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate?
The InChIKey is YGXPGXYLKTVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-18-9-6-4-8(5-7-9)11(15)10(12(16)19-2)14-13(17)20-3/h4-7,10-11,15H,1-3H3,(H,14,17).
What are the key properties of methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate?
methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate has a molecular weight of 283.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 84581659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).