methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate

C15H23NO3 — CID 82347788

IUPACmethyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate
SMILESCCc1ccc(C(O)C(CCC(=O)OC)NC)cc1
InChIInChI=1S/C15H23NO3/c1-4-11-5-7-12(8-6-11)15(18)13(16-2)9-10-14(17)19-3/h5-8,13,15-16,18H,4,9-10H2,1-3H3
InChIKeyNPQQQYGBRGKOSX-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.82
Rot. Bonds7

About methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate

methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate (PubChem CID 82347788) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate
PubChem CID82347788
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate
SMILESCCc1ccc(C(O)C(CCC(=O)OC)NC)cc1
InChIInChI=1S/C15H23NO3/c1-4-11-5-7-12(8-6-11)15(18)13(16-2)9-10-14(17)19-3/h5-8,13,15-16,18H,4,9-10H2,1-3H3
InChIKeyNPQQQYGBRGKOSX-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(4-chlorophenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347944
methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82349042
5-(4-ethylphenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
CID 82347753
methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate
CID 82348400
methyl 4-(tert-butylamino)-5-hydroxy-5-(4-methylphenyl)pentanoate
CID 82347574
5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid
CID 82348478
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
5-(4-tert-butylphenyl)-5-hydroxy-4-(methylamino)pentanoic acid
CID 82348185
methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate
CID 82349885
methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 82348405
methyl 5-hydroxy-4-(3-hydroxypropylamino)-5-(4-methylphenyl)pentanoate
CID 82347572
methyl 2-[(4-ethylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62395969

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate?
The IUPAC name of methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate (CID 82347788) is methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate.
What is the SMILES notation for methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate?
The canonical SMILES for methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate is CCc1ccc(C(O)C(CCC(=O)OC)NC)cc1.
What is the InChIKey of methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate?
The InChIKey is NPQQQYGBRGKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-11-5-7-12(8-6-11)15(18)13(16-2)9-10-14(17)19-3/h5-8,13,15-16,18H,4,9-10H2,1-3H3.
What are the key properties of methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate?
methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate has a molecular weight of 265.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate is sourced from PubChem (CID 82347788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).