5-amino-2-propoxybenzoic acid

C10H13NO3 — CID 26306

IUPAC5-amino-2-propoxybenzoic acid
SMILESCCCOc1ccc(N)cc1C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5,11H2,1H3,(H,12,13)
InChIKeyWLXTWCDTEYNQMC-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.76
Rot. Bonds4

About 5-amino-2-propoxybenzoic acid

5-amino-2-propoxybenzoic acid (PubChem CID 26306) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-amino-2-propoxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-propoxybenzoic acid
PubChem CID26306
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-amino-2-propoxybenzoic acid
SMILESCCCOc1ccc(N)cc1C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5,11H2,1H3,(H,12,13)
InChIKeyWLXTWCDTEYNQMC-UHFFFAOYSA-N
XLogP1.76
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propoxybenzoic acid?
The IUPAC name of 5-amino-2-propoxybenzoic acid (CID 26306) is 5-amino-2-propoxybenzoic acid.
What is the SMILES notation for 5-amino-2-propoxybenzoic acid?
The canonical SMILES for 5-amino-2-propoxybenzoic acid is CCCOc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-propoxybenzoic acid?
The InChIKey is WLXTWCDTEYNQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5,11H2,1H3,(H,12,13).
What are the key properties of 5-amino-2-propoxybenzoic acid?
5-amino-2-propoxybenzoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propoxybenzoic acid is sourced from PubChem (CID 26306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).