3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid

C14H20N2O3 — CID 63834095

IUPAC3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid
SMILESNc1cc(C(=O)O)ccc1NCCOC1CCCC1
InChIInChI=1S/C14H20N2O3/c15-12-9-10(14(17)18)5-6-13(12)16-7-8-19-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,15H2,(H,17,18)
InChIKeyMDXZXFPRSCYJSC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.34
Rot. Bonds6

About 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid

3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid (PubChem CID 63834095) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid.

Molecular Properties

Compound Name3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid
PubChem CID63834095
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid
SMILESNc1cc(C(=O)O)ccc1NCCOC1CCCC1
InChIInChI=1S/C14H20N2O3/c15-12-9-10(14(17)18)5-6-13(12)16-7-8-19-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,15H2,(H,17,18)
InChIKeyMDXZXFPRSCYJSC-UHFFFAOYSA-N
XLogP2.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid?
The IUPAC name of 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid (CID 63834095) is 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid.
What is the SMILES notation for 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid?
The canonical SMILES for 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid is Nc1cc(C(=O)O)ccc1NCCOC1CCCC1.
What is the InChIKey of 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid?
The InChIKey is MDXZXFPRSCYJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-9-10(14(17)18)5-6-13(12)16-7-8-19-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,15H2,(H,17,18).
What are the key properties of 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid?
3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid is sourced from PubChem (CID 63834095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).