2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid

C11H13NO5 — CID 121360019

IUPAC2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid
SMILESCC(C)(C(=O)O)c1cc(N)c(C(=O)O)cc1O
InChIInChI=1S/C11H13NO5/c1-11(2,10(16)17)6-4-7(12)5(9(14)15)3-8(6)13/h3-4,13H,12H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRWSXUSSAOJYOTM-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid

2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid (PubChem CID 121360019) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid
PubChem CID121360019
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid
SMILESCC(C)(C(=O)O)c1cc(N)c(C(=O)O)cc1O
InChIInChI=1S/C11H13NO5/c1-11(2,10(16)17)6-4-7(12)5(9(14)15)3-8(6)13/h3-4,13H,12H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRWSXUSSAOJYOTM-UHFFFAOYSA-N
XLogP1.03
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid?
The IUPAC name of 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid (CID 121360019) is 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid?
The canonical SMILES for 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid is CC(C)(C(=O)O)c1cc(N)c(C(=O)O)cc1O.
What is the InChIKey of 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid?
The InChIKey is RWSXUSSAOJYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-11(2,10(16)17)6-4-7(12)5(9(14)15)3-8(6)13/h3-4,13H,12H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid?
2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid has a molecular weight of 239.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-carboxypropan-2-yl)-5-hydroxybenzoic acid is sourced from PubChem (CID 121360019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).