2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid

C11H15NO3 — CID 69408244

IUPAC2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(N)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-11(12,10(14)15)7-8-3-5-9(13)6-4-8/h3-6,13H,2,7,12H2,1H3,(H,14,15)
InChIKeyKEFQVZYLTYLBRA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid

2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid (PubChem CID 69408244) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
PubChem CID69408244
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(N)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-11(12,10(14)15)7-8-3-5-9(13)6-4-8/h3-6,13H,2,7,12H2,1H3,(H,14,15)
InChIKeyKEFQVZYLTYLBRA-UHFFFAOYSA-N
XLogP1.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid
CID 11042087
2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid
CID 146628259
(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 90178447
2-amino-2-benzylpentanoic acid
CID 24974249
(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid
CID 66892564
2-amino-2-[(4-bromophenyl)methyl]hexanoic acid
CID 175669821
3-ethoxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 103973782
(2S)-2-amino-2-[[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]methyl]pentanoic acid
CID 54088253
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
(2R)-2-amino-2-[(4-fluoro-2,3-dihydroxyphenyl)methyl]butanoic acid
CID 10354414
dimethyl (2S)-2-amino-2-[(4-hydroxyphenyl)methyl]butanedioate
CID 102312983

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid (CID 69408244) is 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid is CCC(N)(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The InChIKey is KEFQVZYLTYLBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-11(12,10(14)15)7-8-3-5-9(13)6-4-8/h3-6,13H,2,7,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid?
2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 69408244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).