3-amino-1-cycloheptylpiperidine-3-carboxylic acid

C13H24N2O2 — CID 117011831

IUPAC3-amino-1-cycloheptylpiperidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCCN(C2CCCCCC2)C1
InChIInChI=1S/C13H24N2O2/c14-13(12(16)17)8-5-9-15(10-13)11-6-3-1-2-4-7-11/h11H,1-10,14H2,(H,16,17)
InChIKeyMXOVIGNTPVBINC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.59
Rot. Bonds2

About 3-amino-1-cycloheptylpiperidine-3-carboxylic acid

3-amino-1-cycloheptylpiperidine-3-carboxylic acid (PubChem CID 117011831) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-amino-1-cycloheptylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-cycloheptylpiperidine-3-carboxylic acid
PubChem CID117011831
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-amino-1-cycloheptylpiperidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCCN(C2CCCCCC2)C1
InChIInChI=1S/C13H24N2O2/c14-13(12(16)17)8-5-9-15(10-13)11-6-3-1-2-4-7-11/h11H,1-10,14H2,(H,16,17)
InChIKeyMXOVIGNTPVBINC-UHFFFAOYSA-N
XLogP1.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79641627
1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565
3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321554
1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
CID 115022244
3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 107320831
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107321169
1-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexane-1-carboxylic acid
CID 79642318
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
1-amino-3-(4,4-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79642103
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cycloheptylpiperidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-cycloheptylpiperidine-3-carboxylic acid (CID 117011831) is 3-amino-1-cycloheptylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-cycloheptylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-cycloheptylpiperidine-3-carboxylic acid is NC1(C(=O)O)CCCN(C2CCCCCC2)C1.
What is the InChIKey of 3-amino-1-cycloheptylpiperidine-3-carboxylic acid?
The InChIKey is MXOVIGNTPVBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-13(12(16)17)8-5-9-15(10-13)11-6-3-1-2-4-7-11/h11H,1-10,14H2,(H,16,17).
What are the key properties of 3-amino-1-cycloheptylpiperidine-3-carboxylic acid?
3-amino-1-cycloheptylpiperidine-3-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cycloheptylpiperidine-3-carboxylic acid is sourced from PubChem (CID 117011831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).