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

C16H25NO2 — CID 62934522

IUPACmethyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
SMILESCOC(=O)CC(C)(C)CC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-6-7-13(8-12(11)2)14(17)9-16(3,4)10-15(18)19-5/h6-8,14H,9-10,17H2,1-5H3
InChIKeyOKTGFAMBGZHAMT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds5

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

methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate (PubChem CID 62934522) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
PubChem CID62934522
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
SMILESCOC(=O)CC(C)(C)CC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-6-7-13(8-12(11)2)14(17)9-16(3,4)10-15(18)19-5/h6-8,14H,9-10,17H2,1-5H3
InChIKeyOKTGFAMBGZHAMT-UHFFFAOYSA-N
XLogP3.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-amino-5-(4-iodophenyl)-3,3-dimethylpentanoate
CID 62932802
methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate
CID 62934351
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate
CID 62932808
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate
CID 62933676
5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide
CID 62934355
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
methyl (3S)-3-amino-3-(3-bromo-4-methylphenyl)propanoate
CID 103694355
ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
CID 62935026
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
ethyl 2-[2-amino-2-(3,4-dimethylphenyl)ethyl]sulfanylacetate
CID 64613760

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate?
The IUPAC name of methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate (CID 62934522) is methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate.
What is the SMILES notation for methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate?
The canonical SMILES for methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate is COC(=O)CC(C)(C)CC(N)c1ccc(C)c(C)c1.
What is the InChIKey of methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate?
The InChIKey is OKTGFAMBGZHAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-6-7-13(8-12(11)2)14(17)9-16(3,4)10-15(18)19-5/h6-8,14H,9-10,17H2,1-5H3.
What are the key properties of methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate?
methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate has a molecular weight of 263.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate is sourced from PubChem (CID 62934522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).