2-amino-5-propoxybenzoic acid

C10H13NO3 — CID 12719187

IUPAC2-amino-5-propoxybenzoic acid
SMILESCCCOc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h3-4,6H,2,5,11H2,1H3,(H,12,13)
InChIKeyMRUCFDUZRLKYOF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.76
Rot. Bonds4

About 2-amino-5-propoxybenzoic acid

2-amino-5-propoxybenzoic acid (PubChem CID 12719187) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-5-propoxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-propoxybenzoic acid
PubChem CID12719187
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-5-propoxybenzoic acid
SMILESCCCOc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h3-4,6H,2,5,11H2,1H3,(H,12,13)
InChIKeyMRUCFDUZRLKYOF-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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Related Compounds

2-amino-5-heptoxybenzoic acid
CID 54888058
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
1-(2-amino-5-propoxyphenyl)butan-1-one
CID 112541199
2-methoxy-5-propoxybenzoic acid
CID 82265622
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
2-amino-5-(4-methoxy-4-oxobutoxy)benzoic acid
CID 63997539
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
2-amino-5-prop-2-enoxybenzoic acid
CID 57155191
2,5-didodecoxybenzoic acid
CID 168826367
2-amino-5-(2-cyclobutylethoxy)benzoic acid
CID 106203443

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propoxybenzoic acid?
The IUPAC name of 2-amino-5-propoxybenzoic acid (CID 12719187) is 2-amino-5-propoxybenzoic acid.
What is the SMILES notation for 2-amino-5-propoxybenzoic acid?
The canonical SMILES for 2-amino-5-propoxybenzoic acid is CCCOc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-propoxybenzoic acid?
The InChIKey is MRUCFDUZRLKYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h3-4,6H,2,5,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-5-propoxybenzoic acid?
2-amino-5-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 2-amino-5-propoxybenzoic acid is sourced from PubChem (CID 12719187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).