2-acetamido-2-(3-hydroxyphenyl)propanoic acid

C11H13NO4 — CID 63702146

IUPAC2-acetamido-2-(3-hydroxyphenyl)propanoic acid
SMILESCC(=O)NC(C)(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H13NO4/c1-7(13)12-11(2,10(15)16)8-4-3-5-9(14)6-8/h3-6,14H,1-2H3,(H,12,13)(H,15,16)
InChIKeyMBPYJQYUFBJFGI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.83
Rot. Bonds3

About 2-acetamido-2-(3-hydroxyphenyl)propanoic acid

2-acetamido-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 63702146) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-acetamido-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-2-(3-hydroxyphenyl)propanoic acid
PubChem CID63702146
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-acetamido-2-(3-hydroxyphenyl)propanoic acid
SMILESCC(=O)NC(C)(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H13NO4/c1-7(13)12-11(2,10(15)16)8-4-3-5-9(14)6-8/h3-6,14H,1-2H3,(H,12,13)(H,15,16)
InChIKeyMBPYJQYUFBJFGI-UHFFFAOYSA-N
XLogP0.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-acetamido-2-(3,4-dimethylphenyl)propanoic acid
CID 63705027
2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 63702147
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid
CID 83833276
2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497
2-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 21079814
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
3-(2-hydroperoxypropan-2-yl)phenol
CID 14576497
(2S)-2-amino-2-chloro-2-(3-hydroxyphenyl)acetic acid
CID 101081990
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid
CID 63689636

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-acetamido-2-(3-hydroxyphenyl)propanoic acid (CID 63702146) is 2-acetamido-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-acetamido-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-acetamido-2-(3-hydroxyphenyl)propanoic acid is CC(=O)NC(C)(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-acetamido-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is MBPYJQYUFBJFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(13)12-11(2,10(15)16)8-4-3-5-9(14)6-8/h3-6,14H,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 2-acetamido-2-(3-hydroxyphenyl)propanoic acid?
2-acetamido-2-(3-hydroxyphenyl)propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 63702146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).