2-amino-2-(2-hydroxybenzoyl)butanoic acid

C11H13NO4 — CID 66780972

IUPAC2-amino-2-(2-hydroxybenzoyl)butanoic acid
SMILESCCC(N)(C(=O)O)C(=O)c1ccccc1O
InChIInChI=1S/C11H13NO4/c1-2-11(12,10(15)16)9(14)7-5-3-4-6-8(7)13/h3-6,13H,2,12H2,1H3,(H,15,16)
InChIKeyUXEZQEYVVLKINV-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-2-(2-hydroxybenzoyl)butanoic acid

2-amino-2-(2-hydroxybenzoyl)butanoic acid (PubChem CID 66780972) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-amino-2-(2-hydroxybenzoyl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-hydroxybenzoyl)butanoic acid
PubChem CID66780972
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-amino-2-(2-hydroxybenzoyl)butanoic acid
SMILESCCC(N)(C(=O)O)C(=O)c1ccccc1O
InChIInChI=1S/C11H13NO4/c1-2-11(12,10(15)16)9(14)7-5-3-4-6-8(7)13/h3-6,13H,2,12H2,1H3,(H,15,16)
InChIKeyUXEZQEYVVLKINV-UHFFFAOYSA-N
XLogP0.77
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-[(2-hydroxybenzoyl)sulfanylmethyl]-3-oxobutanoic acid
CID 174653514
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385
(Z)-2,2-diethyl-4-(2-hydroxyphenyl)pent-3-enoic acid
CID 122364608
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
2-amino-2-[5-(aminomethyl)-2-hydroxybenzoyl]octanoic acid
CID 154371473
2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one
CID 67427597
benzene;2-hydroxybenzamide
CID 157085280
butan-1-amine;2-hydroxybenzoic acid
CID 173067655
docosane;2-hydroxybenzoic acid
CID 161423500
N-ethylethanamine;2-hydroxybenzoic acid;hydrate
CID 159203419
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
ethane;hexane;2-hydroxybenzamide
CID 143703157

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-hydroxybenzoyl)butanoic acid?
The IUPAC name of 2-amino-2-(2-hydroxybenzoyl)butanoic acid (CID 66780972) is 2-amino-2-(2-hydroxybenzoyl)butanoic acid.
What is the SMILES notation for 2-amino-2-(2-hydroxybenzoyl)butanoic acid?
The canonical SMILES for 2-amino-2-(2-hydroxybenzoyl)butanoic acid is CCC(N)(C(=O)O)C(=O)c1ccccc1O.
What is the InChIKey of 2-amino-2-(2-hydroxybenzoyl)butanoic acid?
The InChIKey is UXEZQEYVVLKINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-11(12,10(15)16)9(14)7-5-3-4-6-8(7)13/h3-6,13H,2,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(2-hydroxybenzoyl)butanoic acid?
2-amino-2-(2-hydroxybenzoyl)butanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-hydroxybenzoyl)butanoic acid is sourced from PubChem (CID 66780972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).