2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid

C15H25N3O3 — CID 116683450

IUPAC2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C15H25N3O3/c1-10(14(19)20)11-7-18(8-11)15(21)17-6-5-12-3-4-13(9-17)16(12)2/h10-13H,3-9H2,1-2H3,(H,19,20)
InChIKeySTZQOIJHEUOZPQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.93
Rot. Bonds2

About 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116683450) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116683450
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C15H25N3O3/c1-10(14(19)20)11-7-18(8-11)15(21)17-6-5-12-3-4-13(9-17)16(12)2/h10-13H,3-9H2,1-2H3,(H,19,20)
InChIKeySTZQOIJHEUOZPQ-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid with MolForge

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Related Compounds

2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
CID 116683311
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
3,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanoic acid
CID 116537295
2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid
CID 79170563
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
1-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]prop-2-en-1-one
CID 124671083
3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632

Frequently Asked Questions

What is the IUPAC name of 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid (CID 116683450) is 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)N2CCC3CCC(C2)N3C)C1.
What is the InChIKey of 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is STZQOIJHEUOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(14(19)20)11-7-18(8-11)15(21)17-6-5-12-3-4-13(9-17)16(12)2/h10-13H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).