methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate

C15H23NO3 — CID 62934351

IUPACmethyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate
SMILESCOC(=O)CC(C)(C)CC(N)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-15(2,10-14(17)19-4)9-13(16)11-5-7-12(18-3)8-6-11/h5-8,13H,9-10,16H2,1-4H3
InChIKeyPIXKNCSLOARCEW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.67
Rot. Bonds6

About methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate

methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate (PubChem CID 62934351) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate
PubChem CID62934351
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate
SMILESCOC(=O)CC(C)(C)CC(N)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-15(2,10-14(17)19-4)9-13(16)11-5-7-12(18-3)8-6-11/h5-8,13H,9-10,16H2,1-4H3
InChIKeyPIXKNCSLOARCEW-UHFFFAOYSA-N
XLogP2.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate 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-amino-5-(4-iodophenyl)-3,3-dimethylpentanoate
CID 62932802
methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
CID 62934522
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
CID 62935026
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
methyl 3-amino-4-hydroxy-4-(4-methoxyphenyl)butanoate
CID 82348360
ethyl 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfonylacetate
CID 64676363
methyl 4-amino-2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butanoate
CID 65298635
2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate?
The IUPAC name of methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate (CID 62934351) is methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate.
What is the SMILES notation for methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate?
The canonical SMILES for methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate is COC(=O)CC(C)(C)CC(N)c1ccc(OC)cc1.
What is the InChIKey of methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate?
The InChIKey is PIXKNCSLOARCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,10-14(17)19-4)9-13(16)11-5-7-12(18-3)8-6-11/h5-8,13H,9-10,16H2,1-4H3.
What are the key properties of methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate?
methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate is sourced from PubChem (CID 62934351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).