methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate

C16H26N2O2 — CID 65487858

IUPACmethyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
SMILESCOC(=O)C(C)(N)CCCN(C)CCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(17,15(19)20-3)11-7-12-18(2)13-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,17H2,1-3H3
InChIKeyGYLQYCVPDVQOEM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.83
Rot. Bonds8

About methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate

methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate (PubChem CID 65487858) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
PubChem CID65487858
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Namemethyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
SMILESCOC(=O)C(C)(N)CCCN(C)CCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(17,15(19)20-3)11-7-12-18(2)13-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,17H2,1-3H3
InChIKeyGYLQYCVPDVQOEM-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
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]pentanenitrile
CID 65487082
methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
CID 114990437
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
CID 65486901
5-[2-(4-methoxyphenyl)ethyl-methylamino]-2,2-diphenylpentanamide
CID 19088507
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
CID 63865741
2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
CID 65487478

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate (CID 65487858) is methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate is COC(=O)C(C)(N)CCCN(C)CCc1ccccc1.
What is the InChIKey of methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate?
The InChIKey is GYLQYCVPDVQOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(17,15(19)20-3)11-7-12-18(2)13-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,17H2,1-3H3.
What are the key properties of methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate?
methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate has a molecular weight of 278.40 g/mol, XLogP of 1.83, 8 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-5-[methyl(2-phenylethyl)amino]pentanoate is sourced from PubChem (CID 65487858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).