(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid

C10H13NO3 — CID 93297353

IUPAC(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
SMILESCN(C)[C@@H](C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-11(2)9(10(13)14)7-3-5-8(12)6-4-7/h3-6,9,12H,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyIHBDSGZFZFGSGU-SECBINFHSA-N
MW195.22 g/mol
LogP1.08
Rot. Bonds3

About (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid

(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid (PubChem CID 93297353) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
PubChem CID93297353
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
SMILESCN(C)[C@@H](C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-11(2)9(10(13)14)7-3-5-8(12)6-4-7/h3-6,9,12H,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyIHBDSGZFZFGSGU-SECBINFHSA-N
XLogP1.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminopropanoyl]-methylamino]-2-(4-hydroxyphenyl)acetic acid
CID 22818402
(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
CID 66718288
3-[[carboxy-(4-hydroxyphenyl)methyl]-methylamino]propanoic acid
CID 84750142
2-(4-hydroxy-N-methylanilino)-2-phenylacetic acid
CID 20993991
2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid
CID 84748828
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569
3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid
CID 131031436
2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid
CID 106531816
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
CID 70480259
CID 70480259
(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
CID 155461000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid (CID 93297353) is (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid is CN(C)[C@@H](C(=O)O)c1ccc(O)cc1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is IHBDSGZFZFGSGU-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11(2)9(10(13)14)7-3-5-8(12)6-4-7/h3-6,9,12H,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid?
(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 93297353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).