methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate

C15H24N2O2 — CID 65485948

IUPACmethyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
SMILESCOC(=O)C(C)(N)CCN(C)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(16,14(18)19-3)10-12-17(2)11-9-13-7-5-4-6-8-13/h4-8H,9-12,16H2,1-3H3
InChIKeyIODVMTFPKYJOEI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.44
Rot. Bonds7

About methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate

methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate (PubChem CID 65485948) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
PubChem CID65485948
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
SMILESCOC(=O)C(C)(N)CCN(C)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(16,14(18)19-3)10-12-17(2)11-9-13-7-5-4-6-8-13/h4-8H,9-12,16H2,1-3H3
InChIKeyIODVMTFPKYJOEI-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
CID 65487858
methyl 2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487667
ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487091
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
CID 114990437
2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
CID 65487478
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
CID 65486901
methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate
CID 81074648
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479
ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487856

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate?
The IUPAC name of methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate (CID 65485948) is methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate?
The canonical SMILES for methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate is COC(=O)C(C)(N)CCN(C)CCc1ccccc1.
What is the InChIKey of methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate?
The InChIKey is IODVMTFPKYJOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(16,14(18)19-3)10-12-17(2)11-9-13-7-5-4-6-8-13/h4-8H,9-12,16H2,1-3H3.
What are the key properties of methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate?
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate has a molecular weight of 264.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate is sourced from PubChem (CID 65485948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).