2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid

C16H25NO2 — CID 65055783

IUPAC2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid
SMILESCCCC(C)(NC(c1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-5-11-16(4,15(18)19)17-14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,17H,5,11H2,1-4H3,(H,18,19)
InChIKeyHGYGUOXNODRJRC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.62
Rot. Bonds7

About 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid

2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid (PubChem CID 65055783) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid
PubChem CID65055783
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid
SMILESCCCC(C)(NC(c1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-5-11-16(4,15(18)19)17-14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,17H,5,11H2,1-4H3,(H,18,19)
InChIKeyHGYGUOXNODRJRC-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
CID 61187475
2-[1-[4-(dimethylamino)phenyl]ethylamino]-2-methylpentanoic acid
CID 65055305
2-anilino-2-methylpentanoic acid
CID 60992039
2-[1-(1-benzothiophen-2-yl)ethylamino]-2-methylpentanoic acid
CID 114911111
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 62878367
2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpentanoic acid
CID 65055932
2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid
CID 65055646
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2-methylpentanoic acid
CID 65055942
2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
N'-[(1R)-2-methyl-1-phenylpropyl]-N-[(1R)-1-phenylpropyl]oxamide
CID 124846210
2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
CID 113292394
N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 43425569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid (CID 65055783) is 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid is CCCC(C)(NC(c1ccccc1)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid?
The InChIKey is HGYGUOXNODRJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-11-16(4,15(18)19)17-14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,17H,5,11H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid?
2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid is sourced from PubChem (CID 65055783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).