methyl 2-amino-2,4-dimethyl-4-phenylpentanoate

C14H21NO2 — CID 14899524

IUPACmethyl 2-amino-2,4-dimethyl-4-phenylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-13(2,11-8-6-5-7-9-11)10-14(3,15)12(16)17-4/h5-9H,10,15H2,1-4H3
InChIKeyPPULQQAFFFDOOV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-amino-2,4-dimethyl-4-phenylpentanoate

methyl 2-amino-2,4-dimethyl-4-phenylpentanoate (PubChem CID 14899524) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-amino-2,4-dimethyl-4-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2,4-dimethyl-4-phenylpentanoate
PubChem CID14899524
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-amino-2,4-dimethyl-4-phenylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-13(2,11-8-6-5-7-9-11)10-14(3,15)12(16)17-4/h5-9H,10,15H2,1-4H3
InChIKeyPPULQQAFFFDOOV-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1-methoxy-2,4-dimethyl-1-oxo-4-phenylpentan-2-yl)diazenyl]-2,4-dimethyl-4-phenylpentanoate
CID 14899540
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
methyl 2-methyl-2-phenylbutanoate
CID 562613
methyl 2-[(2-amino-2,3-dimethyl-3-phenylbutanoyl)amino]-2-methylpropanoate
CID 162639845
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
CID 91481469
CID 91481469
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 43786736
methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
CID 114990437
methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2,4-dimethyl-4-phenylpentanoate?
The IUPAC name of methyl 2-amino-2,4-dimethyl-4-phenylpentanoate (CID 14899524) is methyl 2-amino-2,4-dimethyl-4-phenylpentanoate.
What is the SMILES notation for methyl 2-amino-2,4-dimethyl-4-phenylpentanoate?
The canonical SMILES for methyl 2-amino-2,4-dimethyl-4-phenylpentanoate is COC(=O)C(C)(N)CC(C)(C)c1ccccc1.
What is the InChIKey of methyl 2-amino-2,4-dimethyl-4-phenylpentanoate?
The InChIKey is PPULQQAFFFDOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2,11-8-6-5-7-9-11)10-14(3,15)12(16)17-4/h5-9H,10,15H2,1-4H3.
What are the key properties of methyl 2-amino-2,4-dimethyl-4-phenylpentanoate?
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate has a molecular weight of 235.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2,4-dimethyl-4-phenylpentanoate is sourced from PubChem (CID 14899524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).