methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate

C13H19NO4 — CID 104643690

IUPACmethyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO4/c1-13(16,12(15)18-3)9-14-8-10-4-6-11(17-2)7-5-10/h4-7,14,16H,8-9H2,1-3H3
InChIKeySAECWQKXIRYIOI-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.71
Rot. Bonds6

About methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate

methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate (PubChem CID 104643690) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
PubChem CID104643690
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO4/c1-13(16,12(15)18-3)9-14-8-10-4-6-11(17-2)7-5-10/h4-7,14,16H,8-9H2,1-3H3
InChIKeySAECWQKXIRYIOI-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-fluorophenyl)methylamino]-2-hydroxy-2-methylpropanoate
CID 113436474
methyl 3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxy-2-methylpropanoate
CID 104644435
methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
CID 104644390
methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644811
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
methyl 3-(2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643628
methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 100979816
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid
CID 114331776
methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate
CID 106417341
1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol
CID 63679069

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate (CID 104643690) is methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate is COC(=O)C(C)(O)CNCc1ccc(OC)cc1.
What is the InChIKey of methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate?
The InChIKey is SAECWQKXIRYIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(16,12(15)18-3)9-14-8-10-4-6-11(17-2)7-5-10/h4-7,14,16H,8-9H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate?
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate has a molecular weight of 253.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 104643690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).