2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid

C14H21NO3 — CID 64706223

IUPAC2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
SMILESCNC(C)(CC(C)Oc1ccccc1C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-10-7-5-6-8-12(10)18-11(2)9-14(3,15-4)13(16)17/h5-8,11,15H,9H2,1-4H3,(H,16,17)
InChIKeyFVOSTHVOIMOAKF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.22
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid

2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid (PubChem CID 64706223) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
PubChem CID64706223
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
SMILESCNC(C)(CC(C)Oc1ccccc1C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-10-7-5-6-8-12(10)18-11(2)9-14(3,15-4)13(16)17/h5-8,11,15H,9H2,1-4H3,(H,16,17)
InChIKeyFVOSTHVOIMOAKF-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-4-(3-methyl-2-nitrophenoxy)pentanoic acid
CID 64707739
ethyl 4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 107660538
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
2-methyl-2-(methylamino)-4-naphthalen-1-yloxypentanamide
CID 64706246
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64718695
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563
ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 102983589
2-methyl-2-(methylamino)-4-(4-methylsulfonylphenoxy)pentanoic acid
CID 64719577
4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707886
2-methyl-2-(methylamino)-4-(3-methylsulfonylphenoxy)pentanoic acid
CID 64721796
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
CID 64707715
4-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64718485

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid (CID 64706223) is 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid is CNC(C)(CC(C)Oc1ccccc1C)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid?
The InChIKey is FVOSTHVOIMOAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-7-5-6-8-12(10)18-11(2)9-14(3,15-4)13(16)17/h5-8,11,15H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid?
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid is sourced from PubChem (CID 64706223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).