6-hydroxy-2-methylazepane-1-carboxylic acid

C8H15NO3 — CID 151434062

IUPAC6-hydroxy-2-methylazepane-1-carboxylic acid
SMILESCC1CCCC(O)CN1C(=O)O
InChIInChI=1S/C8H15NO3/c1-6-3-2-4-7(10)5-9(6)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyPDCUAAZZMDMYOR-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.90
Rot. Bonds

About 6-hydroxy-2-methylazepane-1-carboxylic acid

6-hydroxy-2-methylazepane-1-carboxylic acid (PubChem CID 151434062) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 6-hydroxy-2-methylazepane-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-methylazepane-1-carboxylic acid
PubChem CID151434062
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name6-hydroxy-2-methylazepane-1-carboxylic acid
SMILESCC1CCCC(O)CN1C(=O)O
InChIInChI=1S/C8H15NO3/c1-6-3-2-4-7(10)5-9(6)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyPDCUAAZZMDMYOR-UHFFFAOYSA-N
XLogP0.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 93498601
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2-methyl-5-methylsulfonyloxypiperidine-1-carboxylic acid
CID 90190479
(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
(2S,4S)-1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83019671
1-(5-hydroxy-2-methylpiperidin-1-yl)butan-1-one
CID 130900482
(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide
CID 122236611
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 66605152
(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
(4S)-2-methyl-4-piperidin-1-ylpyrrolidine-1-carboxylic acid
CID 57115801
7-methyl-1,4-diazepane-1-carboxylic acid
CID 91184881

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylazepane-1-carboxylic acid?
The IUPAC name of 6-hydroxy-2-methylazepane-1-carboxylic acid (CID 151434062) is 6-hydroxy-2-methylazepane-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-methylazepane-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-methylazepane-1-carboxylic acid is CC1CCCC(O)CN1C(=O)O.
What is the InChIKey of 6-hydroxy-2-methylazepane-1-carboxylic acid?
The InChIKey is PDCUAAZZMDMYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-3-2-4-7(10)5-9(6)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 6-hydroxy-2-methylazepane-1-carboxylic acid?
6-hydroxy-2-methylazepane-1-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylazepane-1-carboxylic acid is sourced from PubChem (CID 151434062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).