1-aminocyclotridecane-1-carboxylic acid

C14H27NO2 — CID 53441426

IUPAC1-aminocyclotridecane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCCCCCCCCC1
InChIInChI=1S/C14H27NO2/c15-14(13(16)17)11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12,15H2,(H,16,17)
InChIKeySOQIBCOVXARNRA-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.46
Rot. Bonds1

About 1-aminocyclotridecane-1-carboxylic acid

1-aminocyclotridecane-1-carboxylic acid (PubChem CID 53441426) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-aminocyclotridecane-1-carboxylic acid.

Molecular Properties

Compound Name1-aminocyclotridecane-1-carboxylic acid
PubChem CID53441426
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-aminocyclotridecane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCCCCCCCCC1
InChIInChI=1S/C14H27NO2/c15-14(13(16)17)11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12,15H2,(H,16,17)
InChIKeySOQIBCOVXARNRA-UHFFFAOYSA-N
XLogP3.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101359672
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CID 2901
1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
CID 71060763
1-aminocyclopropane-1-carboxylic acid;hydrate
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CID 68655079
1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 61158699
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-aminocyclopentane-1-carboxamide
CID 139066563
1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid
CID 67882155
1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid
CID 174561878
4-aminopiperidine-4-carboxylic acid;dihydrochloride
CID 22907088
cyclooctane-1,1-dicarboxylic acid
CID 18521139

Frequently Asked Questions

What is the IUPAC name of 1-aminocyclotridecane-1-carboxylic acid?
The IUPAC name of 1-aminocyclotridecane-1-carboxylic acid (CID 53441426) is 1-aminocyclotridecane-1-carboxylic acid.
What is the SMILES notation for 1-aminocyclotridecane-1-carboxylic acid?
The canonical SMILES for 1-aminocyclotridecane-1-carboxylic acid is NC1(C(=O)O)CCCCCCCCCCCC1.
What is the InChIKey of 1-aminocyclotridecane-1-carboxylic acid?
The InChIKey is SOQIBCOVXARNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c15-14(13(16)17)11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12,15H2,(H,16,17).
What are the key properties of 1-aminocyclotridecane-1-carboxylic acid?
1-aminocyclotridecane-1-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclotridecane-1-carboxylic acid is sourced from PubChem (CID 53441426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).