2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid

C11H20N2O2 — CID 130892908

IUPAC2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid
SMILESCC(C(=O)O)N1C2CCC1CN(C)CC2
InChIInChI=1S/C11H20N2O2/c1-8(11(14)15)13-9-3-4-10(13)7-12(2)6-5-9/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyPCTMDANKVOZVOG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.63
Rot. Bonds2

About 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid

2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid (PubChem CID 130892908) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid
PubChem CID130892908
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid
SMILESCC(C(=O)O)N1C2CCC1CN(C)CC2
InChIInChI=1S/C11H20N2O2/c1-8(11(14)15)13-9-3-4-10(13)7-12(2)6-5-9/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyPCTMDANKVOZVOG-UHFFFAOYSA-N
XLogP0.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116684656
2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982127
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
CID 119139664
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259
4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid
CID 117231831
2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid
CID 119149324
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanoic acid
CID 83819489
1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
CID 79390901
(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid
CID 58738014

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid?
The IUPAC name of 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid (CID 130892908) is 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid.
What is the SMILES notation for 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid?
The canonical SMILES for 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid is CC(C(=O)O)N1C2CCC1CN(C)CC2.
What is the InChIKey of 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid?
The InChIKey is PCTMDANKVOZVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(11(14)15)13-9-3-4-10(13)7-12(2)6-5-9/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid?
2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid has a molecular weight of 212.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid is sourced from PubChem (CID 130892908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).