methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate

C15H23NO3 — CID 55142996

IUPACmethyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCOc1ccc(C)cc1)NC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)16-14(15(17)18-4)9-10-19-13-7-5-12(3)6-8-13/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyUGGHQMOTWOOABH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds7

About methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate

methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate (PubChem CID 55142996) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
PubChem CID55142996
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCOc1ccc(C)cc1)NC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)16-14(15(17)18-4)9-10-19-13-7-5-12(3)6-8-13/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyUGGHQMOTWOOABH-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
methyl 4-(2,4-dimethylphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039713
methyl 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butanoate
CID 63033342
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
ethyl 4-(3-fluoro-4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 107170470
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
CID 102432999
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
methyl 4-(4-tert-butylphenoxy)-2-(methylamino)butanoate
CID 63040301
methyl 4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanoate
CID 63041495

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate (CID 55142996) is methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate is COC(=O)C(CCOc1ccc(C)cc1)NC(C)C.
What is the InChIKey of methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate?
The InChIKey is UGGHQMOTWOOABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)16-14(15(17)18-4)9-10-19-13-7-5-12(3)6-8-13/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate?
methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 55142996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).