5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid

C11H20N2O2 — CID 83848967

IUPAC5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
SMILESCN1CCC(NC2CC2)C(C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-13-6-4-9(11(14)15)10(5-7-13)12-8-2-3-8/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyCSFWGAURZNWLDY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds3

About 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid

5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid (PubChem CID 83848967) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
PubChem CID83848967
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
SMILESCN1CCC(NC2CC2)C(C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-13-6-4-9(11(14)15)10(5-7-13)12-8-2-3-8/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyCSFWGAURZNWLDY-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid?
The IUPAC name of 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid (CID 83848967) is 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid?
The canonical SMILES for 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid is CN1CCC(NC2CC2)C(C(=O)O)CC1.
What is the InChIKey of 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid?
The InChIKey is CSFWGAURZNWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-6-4-9(11(14)15)10(5-7-13)12-8-2-3-8/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid?
5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid is sourced from PubChem (CID 83848967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).