3-aminocyclododecane-1-carboxylic acid

C13H25NO2 — CID 71162813

IUPAC3-aminocyclododecane-1-carboxylic acid
SMILESNC1CCCCCCCCCC(C(=O)O)C1
InChIInChI=1S/C13H25NO2/c14-12-9-7-5-3-1-2-4-6-8-11(10-12)13(15)16/h11-12H,1-10,14H2,(H,15,16)
InChIKeyYGLPPEGBJSWJJP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.93
Rot. Bonds1

About 3-aminocyclododecane-1-carboxylic acid

3-aminocyclododecane-1-carboxylic acid (PubChem CID 71162813) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-aminocyclododecane-1-carboxylic acid.

Molecular Properties

Compound Name3-aminocyclododecane-1-carboxylic acid
PubChem CID71162813
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-aminocyclododecane-1-carboxylic acid
SMILESNC1CCCCCCCCCC(C(=O)O)C1
InChIInChI=1S/C13H25NO2/c14-12-9-7-5-3-1-2-4-6-8-11(10-12)13(15)16/h11-12H,1-10,14H2,(H,15,16)
InChIKeyYGLPPEGBJSWJJP-UHFFFAOYSA-N
XLogP2.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
cyclohexanecarboxylic acid;octahydrate
CID 175413747
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319

Frequently Asked Questions

What is the IUPAC name of 3-aminocyclododecane-1-carboxylic acid?
The IUPAC name of 3-aminocyclododecane-1-carboxylic acid (CID 71162813) is 3-aminocyclododecane-1-carboxylic acid.
What is the SMILES notation for 3-aminocyclododecane-1-carboxylic acid?
The canonical SMILES for 3-aminocyclododecane-1-carboxylic acid is NC1CCCCCCCCCC(C(=O)O)C1.
What is the InChIKey of 3-aminocyclododecane-1-carboxylic acid?
The InChIKey is YGLPPEGBJSWJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c14-12-9-7-5-3-1-2-4-6-8-11(10-12)13(15)16/h11-12H,1-10,14H2,(H,15,16).
What are the key properties of 3-aminocyclododecane-1-carboxylic acid?
3-aminocyclododecane-1-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclododecane-1-carboxylic acid is sourced from PubChem (CID 71162813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).