4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid

C14H19NO3 — CID 117376407

IUPAC4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc(O)c2c1CCCC2
InChIInChI=1S/C14H19NO3/c15-12(6-8-14(17)18)10-5-7-13(16)11-4-2-1-3-9(10)11/h5,7,12,16H,1-4,6,8,15H2,(H,17,18)
InChIKeyKDRWLNDDSOOCPI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.14
Rot. Bonds4

About 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid

4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid (PubChem CID 117376407) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
PubChem CID117376407
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc(O)c2c1CCCC2
InChIInChI=1S/C14H19NO3/c15-12(6-8-14(17)18)10-5-7-13(16)11-4-2-1-3-9(10)11/h5,7,12,16H,1-4,6,8,15H2,(H,17,18)
InChIKeyKDRWLNDDSOOCPI-UHFFFAOYSA-N
XLogP2.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid?
The IUPAC name of 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid (CID 117376407) is 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid is NC(CCC(=O)O)c1ccc(O)c2c1CCCC2.
What is the InChIKey of 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid?
The InChIKey is KDRWLNDDSOOCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-12(6-8-14(17)18)10-5-7-13(16)11-4-2-1-3-9(10)11/h5,7,12,16H,1-4,6,8,15H2,(H,17,18).
What are the key properties of 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid?
4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid is sourced from PubChem (CID 117376407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).