2-amino-5-propan-2-yloxybenzoic acid

C10H13NO3 — CID 12719189

IUPAC2-amino-5-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyLKWPCZDBLQUFJQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.75
Rot. Bonds3

About 2-amino-5-propan-2-yloxybenzoic acid

2-amino-5-propan-2-yloxybenzoic acid (PubChem CID 12719189) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-5-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-propan-2-yloxybenzoic acid
PubChem CID12719189
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-5-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyLKWPCZDBLQUFJQ-UHFFFAOYSA-N
XLogP1.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.75
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-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
6-Ethoxy-2-methyl-4-quinolinol
CID 730934
2-Amino-3-methoxybenzoic acid
CID 255720
Isodecyl 5-hydroxyanthranilate
CID 192421
2-Amino-5-ethoxy-4-methoxybenzoic acid
CID 4962862
5-Methoxy-2-nitrobenzoic acid
CID 339209
5-Hydroxyanthranilic acid
CID 164592
5-Methoxyanthranilic acid
CID 277930
2-[[(3E,5Z)-4-octoxyhepta-3,5-dienoyl]amino]-5-(trifluoromethoxy)benzoic acid
CID 91970407
5-(Acetyloxy)-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 889613
2-Phenoxyethyl 2-aminobenzoate
CID 657660
2-N-Boc-Amino-5-methoxybenzoic acid
CID 2756769

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propan-2-yloxybenzoic acid?
The IUPAC name of 2-amino-5-propan-2-yloxybenzoic acid (CID 12719189) is 2-amino-5-propan-2-yloxybenzoic acid.
What is the SMILES notation for 2-amino-5-propan-2-yloxybenzoic acid?
The canonical SMILES for 2-amino-5-propan-2-yloxybenzoic acid is CC(C)Oc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-propan-2-yloxybenzoic acid?
The InChIKey is LKWPCZDBLQUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-5-propan-2-yloxybenzoic acid?
2-amino-5-propan-2-yloxybenzoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propan-2-yloxybenzoic acid is sourced from PubChem (CID 12719189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).