2-oxoazepane-1-carboxylic acid

C7H11NO3 — CID 12985754

IUPAC2-oxoazepane-1-carboxylic acid
SMILESO=C(O)N1CCCCCC1=O
InChIInChI=1S/C7H11NO3/c9-6-4-2-1-3-5-8(6)7(10)11/h1-5H2,(H,10,11)
InChIKeyMLFDXGSMTNTKEZ-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.07
Rot. Bonds

About 2-oxoazepane-1-carboxylic acid

2-oxoazepane-1-carboxylic acid (PubChem CID 12985754) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-oxoazepane-1-carboxylic acid.

Molecular Properties

Compound Name2-oxoazepane-1-carboxylic acid
PubChem CID12985754
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-oxoazepane-1-carboxylic acid
SMILESO=C(O)N1CCCCCC1=O
InChIInChI=1S/C7H11NO3/c9-6-4-2-1-3-5-8(6)7(10)11/h1-5H2,(H,10,11)
InChIKeyMLFDXGSMTNTKEZ-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxoazepane-1-carboxylic acid?
The IUPAC name of 2-oxoazepane-1-carboxylic acid (CID 12985754) is 2-oxoazepane-1-carboxylic acid.
What is the SMILES notation for 2-oxoazepane-1-carboxylic acid?
The canonical SMILES for 2-oxoazepane-1-carboxylic acid is O=C(O)N1CCCCCC1=O.
What is the InChIKey of 2-oxoazepane-1-carboxylic acid?
The InChIKey is MLFDXGSMTNTKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-4-2-1-3-5-8(6)7(10)11/h1-5H2,(H,10,11).
What are the key properties of 2-oxoazepane-1-carboxylic acid?
2-oxoazepane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoazepane-1-carboxylic acid is sourced from PubChem (CID 12985754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).