2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid

C13H19NO3 — CID 79387422

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
SMILESCN(CC(C)(C)O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,17)9-14(3)11(12(15)16)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3,(H,15,16)
InChIKeyWIZTZWKSPWJWRP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid

2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid (PubChem CID 79387422) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
PubChem CID79387422
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
SMILESCN(CC(C)(C)O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,17)9-14(3)11(12(15)16)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3,(H,15,16)
InChIKeyWIZTZWKSPWJWRP-UHFFFAOYSA-N
XLogP1.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
CID 61416812
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
CID 84749156
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
CID 15518749
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 134714258
2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
CID 140872760
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid (CID 79387422) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid is CN(CC(C)(C)O)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid?
The InChIKey is WIZTZWKSPWJWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,17)9-14(3)11(12(15)16)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid is sourced from PubChem (CID 79387422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).