2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide

C8H11NO4 — CID 169432154

IUPAC2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide
SMILESNC1(C(=O)O)CC2CC1C2.O=C=O
InChIInChI=1S/C7H11NO2.CO2/c8-7(6(9)10)3-4-1-5(7)2-4;2-1-3/h4-5H,1-3,8H2,(H,9,10);
InChIKeyZXLGQYSEKNETHH-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.39
Rot. Bonds1

About 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide

2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide (PubChem CID 169432154) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide.

Molecular Properties

Compound Name2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide
PubChem CID169432154
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide
SMILESNC1(C(=O)O)CC2CC1C2.O=C=O
InChIInChI=1S/C7H11NO2.CO2/c8-7(6(9)10)3-4-1-5(7)2-4;2-1-3/h4-5H,1-3,8H2,(H,9,10);
InChIKeyZXLGQYSEKNETHH-UHFFFAOYSA-N
XLogP-0.39
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889497
(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 101429275
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
2-(1-adamantyl)-2-aminoadamantane-1-carboxylic acid
CID 18463305
acetic acid;adamantan-1-amine;azane;platinum;dichloride
CID 162064090
2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid
CID 59948366
2-amino-5-(trifluoromethyl)adamantane-2-carboxylic acid;hydrochloride
CID 43811014
bicyclo[3.1.1]heptane-3,3-dicarboxylic acid
CID 71366048
(5R,7R)-2,2-dichloroadamantane-1-carboxylic acid
CID 98882625
adamantane-1-carboxylic acid;cobalt
CID 174948331
adamantane-1-carboxylic acid;hydrobromide
CID 175234233

Frequently Asked Questions

What is the IUPAC name of 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide?
The IUPAC name of 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide (CID 169432154) is 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide.
What is the SMILES notation for 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide?
The canonical SMILES for 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide is NC1(C(=O)O)CC2CC1C2.O=C=O.
What is the InChIKey of 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide?
The InChIKey is ZXLGQYSEKNETHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.CO2/c8-7(6(9)10)3-4-1-5(7)2-4;2-1-3/h4-5H,1-3,8H2,(H,9,10);.
What are the key properties of 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide?
2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide has a molecular weight of 185.18 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide is sourced from PubChem (CID 169432154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).