4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid

C17H20N2O2 — CID 155146633

IUPAC4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid
SMILESNC(CCC(=O)O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H20N2O2/c18-13(9-10-16(20)21)17-11-5-1-3-7-14(11)19-15-8-4-2-6-12(15)17/h1,3,5,7,13H,2,4,6,8-10,18H2,(H,20,21)
InChIKeyBTIVTOIQRQKABQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid

4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid (PubChem CID 155146633) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid
PubChem CID155146633
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid
SMILESNC(CCC(=O)O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H20N2O2/c18-13(9-10-16(20)21)17-11-5-1-3-7-14(11)19-15-8-4-2-6-12(15)17/h1,3,5,7,13H,2,4,6,8-10,18H2,(H,20,21)
InChIKeyBTIVTOIQRQKABQ-UHFFFAOYSA-N
XLogP2.98
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
CID 141278271
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 21239903
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
CID 51072137
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930
2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4209036

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid?
The IUPAC name of 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid (CID 155146633) is 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid is NC(CCC(=O)O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid?
The InChIKey is BTIVTOIQRQKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-13(9-10-16(20)21)17-11-5-1-3-7-14(11)19-15-8-4-2-6-12(15)17/h1,3,5,7,13H,2,4,6,8-10,18H2,(H,20,21).
What are the key properties of 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid?
4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid is sourced from PubChem (CID 155146633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).