methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate

C14H21NO2 — CID 66089772

IUPACmethyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate
SMILESCOC(=O)CC(c1cccc(C)c1)C(C)(C)N
InChIInChI=1S/C14H21NO2/c1-10-6-5-7-11(8-10)12(14(2,3)15)9-13(16)17-4/h5-8,12H,9,15H2,1-4H3
InChIKeyBURIGKSISPTLKA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds4

About methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate

methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate (PubChem CID 66089772) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate
PubChem CID66089772
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate
SMILESCOC(=O)CC(c1cccc(C)c1)C(C)(C)N
InChIInChI=1S/C14H21NO2/c1-10-6-5-7-11(8-10)12(14(2,3)15)9-13(16)17-4/h5-8,12H,9,15H2,1-4H3
InChIKeyBURIGKSISPTLKA-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 3-amino-3-(3-methylphenyl)propanoate
CID 143672007
(2R)-4-methoxy-2-(3-methylphenyl)-4-oxobutanoic acid
CID 159328207
methyl 3-[[(1R)-1-(3-methylphenyl)ethyl]amino]butanoate
CID 81360687
methyl 4-(methylamino)-4-(3-methylphenyl)butanoate
CID 116955565
methyl 4,4,4-trifluoro-3-(3-hydroxyphenyl)butanoate
CID 71018559
methyl 4-amino-3-(4-chloro-2-methylphenyl)-4-methylpentanoate
CID 114075919
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 116910352
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81360390

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate?
The IUPAC name of methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate (CID 66089772) is methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate.
What is the SMILES notation for methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate?
The canonical SMILES for methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate is COC(=O)CC(c1cccc(C)c1)C(C)(C)N.
What is the InChIKey of methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate?
The InChIKey is BURIGKSISPTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-5-7-11(8-10)12(14(2,3)15)9-13(16)17-4/h5-8,12H,9,15H2,1-4H3.
What are the key properties of methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate?
methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate has a molecular weight of 235.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-4-methyl-3-(3-methylphenyl)pentanoate is sourced from PubChem (CID 66089772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).