methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate

C14H20ClNO3 — CID 113425500

IUPACmethyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate
SMILESCOC(=O)CC(C)CC(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClNO3/c1-9(7-14(17)19-3)6-12(16)11-8-10(15)4-5-13(11)18-2/h4-5,8-9,12H,6-7,16H2,1-3H3
InChIKeyUJMDRJFYALXWQL-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.94
Rot. Bonds6

About methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate

methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate (PubChem CID 113425500) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate
PubChem CID113425500
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Namemethyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate
SMILESCOC(=O)CC(C)CC(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClNO3/c1-9(7-14(17)19-3)6-12(16)11-8-10(15)4-5-13(11)18-2/h4-5,8-9,12H,6-7,16H2,1-3H3
InChIKeyUJMDRJFYALXWQL-UHFFFAOYSA-N
XLogP2.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-5-(3-chloro-4-methoxyphenyl)-3-methylpentanoate
CID 62941825
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide
CID 62941644
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
4-(5-chloro-2-methoxyphenyl)-4-(dimethylamino)butan-2-one
CID 116910496
methyl 5-amino-5-(2,4-difluoro-5-methylphenyl)-3-methylpentanoate
CID 79731967

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate?
The IUPAC name of methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate (CID 113425500) is methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate.
What is the SMILES notation for methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate?
The canonical SMILES for methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate is COC(=O)CC(C)CC(N)c1cc(Cl)ccc1OC.
What is the InChIKey of methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate?
The InChIKey is UJMDRJFYALXWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(7-14(17)19-3)6-12(16)11-8-10(15)4-5-13(11)18-2/h4-5,8-9,12H,6-7,16H2,1-3H3.
What are the key properties of methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate?
methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate has a molecular weight of 285.77 g/mol, XLogP of 2.94, 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-(5-chloro-2-methoxyphenyl)-3-methylpentanoate is sourced from PubChem (CID 113425500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).