2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid

C10H13NO3 — CID 43753640

IUPAC2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
SMILESCNC(C)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-10(11-2,9(13)14)7-3-5-8(12)6-4-7/h3-6,11-12H,1-2H3,(H,13,14)
InChIKeyONKIFXYCRWDTHM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.91
Rot. Bonds3

About 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid

2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid (PubChem CID 43753640) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
PubChem CID43753640
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
SMILESCNC(C)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-10(11-2,9(13)14)7-3-5-8(12)6-4-7/h3-6,11-12H,1-2H3,(H,13,14)
InChIKeyONKIFXYCRWDTHM-UHFFFAOYSA-N
XLogP0.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dihydroxyphenyl)-2-(methylamino)propanoic acid
CID 107707477
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261
2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
CID 43754473
2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid
CID 117049848
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate
CID 60991506
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 67684435
(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid (CID 43753640) is 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid is CNC(C)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid?
The InChIKey is ONKIFXYCRWDTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(11-2,9(13)14)7-3-5-8(12)6-4-7/h3-6,11-12H,1-2H3,(H,13,14).
What are the key properties of 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid?
2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid is sourced from PubChem (CID 43753640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).