3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid

C11H15NO3 — CID 84676780

IUPAC3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(N)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-11(2,10(14)15)9(12)7-4-3-5-8(13)6-7/h3-6,9,13H,12H2,1-2H3,(H,14,15)
InChIKeyPMNAGMFVUFJQMV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid

3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 84676780) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID84676780
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(N)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-11(2,10(14)15)9(12)7-4-3-5-8(13)6-7/h3-6,9,13H,12H2,1-2H3,(H,14,15)
InChIKeyPMNAGMFVUFJQMV-UHFFFAOYSA-N
XLogP1.50
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998
3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid
CID 84782271
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 116937993
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024
ethyl 3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 62396997
diphenylmethanamine;3-hydroxybenzoic acid
CID 3075100
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
(3S)-3-cyclopropyl-2-fluoro-3-(3-hydroxyphenyl)-2-methylpropanoic acid
CID 146316709

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid (CID 84676780) is 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid is CC(C)(C(=O)O)C(N)c1cccc(O)c1.
What is the InChIKey of 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is PMNAGMFVUFJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,10(14)15)9(12)7-4-3-5-8(13)6-7/h3-6,9,13H,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid?
3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 84676780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).