methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate

C14H19Cl2NO2 — CID 62933676

IUPACmethyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate
SMILESCOC(=O)CC(C)(C)CC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-14(2,8-13(18)19-3)7-12(17)10-5-4-9(15)6-11(10)16/h4-6,12H,7-8,17H2,1-3H3
InChIKeyULYBPBGOPCOZDC-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.97
Rot. Bonds5

About methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate

methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate (PubChem CID 62933676) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate
PubChem CID62933676
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Namemethyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate
SMILESCOC(=O)CC(C)(C)CC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-14(2,8-13(18)19-3)7-12(17)10-5-4-9(15)6-11(10)16/h4-6,12H,7-8,17H2,1-3H3
InChIKeyULYBPBGOPCOZDC-UHFFFAOYSA-N
XLogP3.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-4-(2,5-dichlorophenyl)-2,2-dimethylbutanoate
CID 65297367
methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate
CID 62934351
butyl 3-amino-3-(2,4-dichlorophenyl)propanoate
CID 23109963
methyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)propanoate
CID 103694392
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 102173737
5-amino-5-(2-chloro-4,5-difluorophenyl)-3,3-dimethylpentanoic acid
CID 107476711
methyl 3-[1-(2,4-dichlorophenyl)ethylamino]butanoate
CID 43536724
methyl 2-(2,4-dichlorophenyl)pent-4-enoate
CID 21499630
methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxo-4-sulfanylpentanoate
CID 21216935
methyl (3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]propanoate
CID 171250563
tert-butyl 2-chloro-2-(2,4-dichlorophenyl)acetate
CID 54191230
6-amino-6-(2,4-dichlorophenyl)hexanamide
CID 61271207

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate?
The IUPAC name of methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate (CID 62933676) is methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate.
What is the SMILES notation for methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate?
The canonical SMILES for methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate is COC(=O)CC(C)(C)CC(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate?
The InChIKey is ULYBPBGOPCOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-14(2,8-13(18)19-3)7-12(17)10-5-4-9(15)6-11(10)16/h4-6,12H,7-8,17H2,1-3H3.
What are the key properties of methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate?
methyl 5-amino-5-(2,4-dichlorophenyl)-3,3-dimethylpentanoate has a molecular weight of 304.22 g/mol, XLogP of 3.97, 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-(2,4-dichlorophenyl)-3,3-dimethylpentanoate is sourced from PubChem (CID 62933676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).