5-amino-2-(cyclopropylmethoxy)benzoic acid

C11H13NO3 — CID 43560606

IUPAC5-amino-2-(cyclopropylmethoxy)benzoic acid
SMILESNc1ccc(OCC2CC2)c(C(=O)O)c1
InChIInChI=1S/C11H13NO3/c12-8-3-4-10(9(5-8)11(13)14)15-6-7-1-2-7/h3-5,7H,1-2,6,12H2,(H,13,14)
InChIKeyAYVZCCLOLCZMIA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.76
Rot. Bonds4

About 5-amino-2-(cyclopropylmethoxy)benzoic acid

5-amino-2-(cyclopropylmethoxy)benzoic acid (PubChem CID 43560606) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylmethoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(cyclopropylmethoxy)benzoic acid
PubChem CID43560606
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-amino-2-(cyclopropylmethoxy)benzoic acid
SMILESNc1ccc(OCC2CC2)c(C(=O)O)c1
InChIInChI=1S/C11H13NO3/c12-8-3-4-10(9(5-8)11(13)14)15-6-7-1-2-7/h3-5,7H,1-2,6,12H2,(H,13,14)
InChIKeyAYVZCCLOLCZMIA-UHFFFAOYSA-N
XLogP1.76
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
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

4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide
CID 134821730
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
2-(cyclopropylmethoxy)-5-nonylsulfonylbenzoic acid
CID 150593575
2-(cyclopentylmethoxy)-5-nitrobenzoic acid
CID 61343557
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
5-amino-2-(3-methylsulfonylpropoxy)benzoic acid
CID 55161960

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylmethoxy)benzoic acid?
The IUPAC name of 5-amino-2-(cyclopropylmethoxy)benzoic acid (CID 43560606) is 5-amino-2-(cyclopropylmethoxy)benzoic acid.
What is the SMILES notation for 5-amino-2-(cyclopropylmethoxy)benzoic acid?
The canonical SMILES for 5-amino-2-(cyclopropylmethoxy)benzoic acid is Nc1ccc(OCC2CC2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(cyclopropylmethoxy)benzoic acid?
The InChIKey is AYVZCCLOLCZMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-8-3-4-10(9(5-8)11(13)14)15-6-7-1-2-7/h3-5,7H,1-2,6,12H2,(H,13,14).
What are the key properties of 5-amino-2-(cyclopropylmethoxy)benzoic acid?
5-amino-2-(cyclopropylmethoxy)benzoic acid has a molecular weight of 207.23 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-(cyclopropylmethoxy)benzoic acid is sourced from PubChem (CID 43560606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).