4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid

C18H27NO2 — CID 116525863

IUPAC4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(N)CCC(=O)O)ccc21
InChIInChI=1S/C18H27NO2/c1-17(2)9-10-18(3,4)14-11-12(5-6-13(14)17)15(19)7-8-16(20)21/h5-6,11,15H,7-10,19H2,1-4H3,(H,20,21)
InChIKeyHQSKRYDASGMFIO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.90
Rot. Bonds4

About 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid

4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid (PubChem CID 116525863) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid
PubChem CID116525863
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(N)CCC(=O)O)ccc21
InChIInChI=1S/C18H27NO2/c1-17(2)9-10-18(3,4)14-11-12(5-6-13(14)17)15(19)7-8-16(20)21/h5-6,11,15H,7-10,19H2,1-4H3,(H,20,21)
InChIKeyHQSKRYDASGMFIO-UHFFFAOYSA-N
XLogP3.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid?
The IUPAC name of 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid (CID 116525863) is 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid is CC1(C)CCC(C)(C)c2cc(C(N)CCC(=O)O)ccc21.
What is the InChIKey of 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid?
The InChIKey is HQSKRYDASGMFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2)9-10-18(3,4)14-11-12(5-6-13(14)17)15(19)7-8-16(20)21/h5-6,11,15H,7-10,19H2,1-4H3,(H,20,21).
What are the key properties of 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid?
4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 116525863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).