(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate

C12H17NO4 — CID 66172841

IUPAC(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
SMILESCOc1ccc(COC(=O)C(C)(O)CN)cc1
InChIInChI=1S/C12H17NO4/c1-12(15,8-13)11(14)17-7-9-3-5-10(16-2)6-4-9/h3-6,15H,7-8,13H2,1-2H3
InChIKeyDDADOILONKHLDS-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.45
Rot. Bonds5

About (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate

(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate (PubChem CID 66172841) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
PubChem CID66172841
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
SMILESCOc1ccc(COC(=O)C(C)(O)CN)cc1
InChIInChI=1S/C12H17NO4/c1-12(15,8-13)11(14)17-7-9-3-5-10(16-2)6-4-9/h3-6,15H,7-8,13H2,1-2H3
InChIKeyDDADOILONKHLDS-UHFFFAOYSA-N
XLogP0.45
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
CID 115430699
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
(4-methoxyphenyl)methyl 2,2-difluoro-2-sulfanylacetate
CID 163433987
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
CID 11380047
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate?
The IUPAC name of (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate (CID 66172841) is (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate?
The canonical SMILES for (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate is COc1ccc(COC(=O)C(C)(O)CN)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate?
The InChIKey is DDADOILONKHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(15,8-13)11(14)17-7-9-3-5-10(16-2)6-4-9/h3-6,15H,7-8,13H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate?
(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate has a molecular weight of 239.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 66172841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).