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

C11H20N2O2 — CID 65075425

IUPAC4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
SMILESCN1CCCC(NC2CC2)(C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-13-7-2-5-11(6-8-13,10(14)15)12-9-3-4-9/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyKPMFRLJOKRGDJT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds3

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

4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid (PubChem CID 65075425) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
PubChem CID65075425
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
SMILESCN1CCCC(NC2CC2)(C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-13-7-2-5-11(6-8-13,10(14)15)12-9-3-4-9/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyKPMFRLJOKRGDJT-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylamino)-1-methylazepane-4-carboxylic acid
CID 65075216
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
4-(cyclopentylamino)-1-ethylpiperidine-4-carboxylic acid
CID 54894276
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
methyl 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylate
CID 62976040
1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 62704491
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
CID 79649865
1-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclopentane-1-carboxylic acid
CID 115001282
1-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79636971

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid?
The IUPAC name of 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid (CID 65075425) is 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid?
The canonical SMILES for 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid is CN1CCCC(NC2CC2)(C(=O)O)CC1.
What is the InChIKey of 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid?
The InChIKey is KPMFRLJOKRGDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-7-2-5-11(6-8-13,10(14)15)12-9-3-4-9/h9,12H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid?
4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid is sourced from PubChem (CID 65075425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).