2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

C9H15NO2 — CID 10932632

IUPAC2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
SMILESCCCN1CC2CC1(C(=O)O)C2
InChIInChI=1S/C9H15NO2/c1-2-3-10-6-7-4-9(10,5-7)8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyGCRPDSCVZWBIJD-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.95
Rot. Bonds3

About 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid (PubChem CID 10932632) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid.

Molecular Properties

Compound Name2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
PubChem CID10932632
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
SMILESCCCN1CC2CC1(C(=O)O)C2
InChIInChI=1S/C9H15NO2/c1-2-3-10-6-7-4-9(10,5-7)8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyGCRPDSCVZWBIJD-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 139430120
1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane
CID 178026347
2-(2,2-dimethylpropanoyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 130184694
5,5-dimethyl-1-pentylpyrrolidine-3-carboxylic acid
CID 117018394
3-[2-(5-methylhexyl)-2-azabicyclo[2.1.1]hexan-1-yl]propanoic acid
CID 146077097
(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol
CID 163743712
1-propylaziridine-2-carboxylic acid
CID 59817296
1-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114994913
(2S,4S)-1,2-dimethyl-4-propylpyrrolidine-2-carboxylic acid
CID 91487142
2-pentan-2-ylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 107889036
4-ethyl-1-pyrrol-1-ylcyclohexane-1-carboxylic acid
CID 61293780
4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid
CID 22369546

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The IUPAC name of 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid (CID 10932632) is 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid.
What is the SMILES notation for 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The canonical SMILES for 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid is CCCN1CC2CC1(C(=O)O)C2.
What is the InChIKey of 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
The InChIKey is GCRPDSCVZWBIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-10-6-7-4-9(10,5-7)8(11)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid?
2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid is sourced from PubChem (CID 10932632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).