2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid

C11H13NO4 — CID 175398480

IUPAC2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid
SMILESNC(Cc1cccc(C(=O)CO)c1)C(=O)O
InChIInChI=1S/C11H13NO4/c12-9(11(15)16)5-7-2-1-3-8(4-7)10(14)6-13/h1-4,9,13H,5-6,12H2,(H,15,16)
InChIKeyFFVBYABGKPJMBS-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.18
Rot. Bonds5

About 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid

2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid (PubChem CID 175398480) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid
PubChem CID175398480
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid
SMILESNC(Cc1cccc(C(=O)CO)c1)C(=O)O
InChIInChI=1S/C11H13NO4/c12-9(11(15)16)5-7-2-1-3-8(4-7)10(14)6-13/h1-4,9,13H,5-6,12H2,(H,15,16)
InChIKeyFFVBYABGKPJMBS-UHFFFAOYSA-N
XLogP-0.18
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
(2R)-2-amino-3-[3-(N'-hydroxycarbamimidoyl)phenyl]propanoic acid
CID 173140434
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
(2S)-2-amino-3-[3-(tert-butylcarbamoyl)phenyl]propanoic acid
CID 139521017
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid (CID 175398480) is 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid is NC(Cc1cccc(C(=O)CO)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid?
The InChIKey is FFVBYABGKPJMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-2-1-3-8(4-7)10(14)6-13/h1-4,9,13H,5-6,12H2,(H,15,16).
What are the key properties of 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid?
2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid is sourced from PubChem (CID 175398480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).