1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid

C11H21NO3 — CID 18522538

IUPAC1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
SMILESCC1(C)CCC(C(=O)O)CC(C)(C)N1O
InChIInChI=1S/C11H21NO3/c1-10(2)6-5-8(9(13)14)7-11(3,4)12(10)15/h8,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyHQPYDDFUFSRJFS-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.12
Rot. Bonds1

About 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid

1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid (PubChem CID 18522538) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
PubChem CID18522538
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
SMILESCC1(C)CCC(C(=O)O)CC(C)(C)N1O
InChIInChI=1S/C11H21NO3/c1-10(2)6-5-8(9(13)14)7-11(3,4)12(10)15/h8,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyHQPYDDFUFSRJFS-UHFFFAOYSA-N
XLogP2.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid?
The IUPAC name of 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid (CID 18522538) is 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid is CC1(C)CCC(C(=O)O)CC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid?
The InChIKey is HQPYDDFUFSRJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2)6-5-8(9(13)14)7-11(3,4)12(10)15/h8,15H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid?
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid is sourced from PubChem (CID 18522538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).