(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate

C13H19NO3 — CID 79798508

IUPAC(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCc1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-4-13(2,14)12(15)17-9-10-6-5-7-11(8-10)16-3/h5-8H,4,9,14H2,1-3H3
InChIKeyOBAINGDBOAXTPJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.87
Rot. Bonds5

About (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate

(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate (PubChem CID 79798508) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate
PubChem CID79798508
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCc1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-4-13(2,14)12(15)17-9-10-6-5-7-11(8-10)16-3/h5-8H,4,9,14H2,1-3H3
InChIKeyOBAINGDBOAXTPJ-UHFFFAOYSA-N
XLogP1.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl pentanoate
CID 78789338
benzyl 4-amino-2,2,4-trimethyl-3-oxohexanoate
CID 170127579
(3-methoxyphenyl)methyl (Z)-2-methylbut-2-enoate
CID 91698333
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
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3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
CID 64571644
(3-methoxyphenyl)methyl but-2-enoate
CID 75850831
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
3-hydroxy-1-(3-methoxyphenyl)-3-methylpentan-2-one
CID 103446663
(3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
CID 91488477
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate?
The IUPAC name of (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate (CID 79798508) is (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OCc1cccc(OC)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate?
The InChIKey is OBAINGDBOAXTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-13(2,14)12(15)17-9-10-6-5-7-11(8-10)16-3/h5-8H,4,9,14H2,1-3H3.
What are the key properties of (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate?
(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate has a molecular weight of 237.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-amino-2-methylbutanoate is sourced from PubChem (CID 79798508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).