2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid

C13H24N2O4 — CID 102658238

IUPAC2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C13H24N2O4/c1-11(2,12(3,4)14)10(18)15-7-13(5,8-15)19-6-9(16)17/h6-8,14H2,1-5H3,(H,16,17)
InChIKeyIQVMMBGRWOUPGM-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.45
Rot. Bonds5

About 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658238) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658238
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C13H24N2O4/c1-11(2,12(3,4)14)10(18)15-7-13(5,8-15)19-6-9(16)17/h6-8,14H2,1-5H3,(H,16,17)
InChIKeyIQVMMBGRWOUPGM-UHFFFAOYSA-N
XLogP0.45
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid
CID 65269935
2-[2-[(3-Amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid
CID 79457124
2-[1-[3-(2,2-Dimethylpropanoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657125
2-[1-(2,2-Dimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657419
2-[1-(3,3-Dimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657532
2-[3-Methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid
CID 102658135
2-[1-(1-Aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658143
2-[1-[2-(1-Aminocyclobutyl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658147
2-[1-(3-Aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658160
2-[1-[3-(Ethylamino)butanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658166
2-[3-Methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658169
2-[3-Methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid
CID 102658178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102658238) is 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)C(C)(C)C(C)(C)N)C1.
What is the InChIKey of 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is IQVMMBGRWOUPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-11(2,12(3,4)14)10(18)15-7-13(5,8-15)19-6-9(16)17/h6-8,14H2,1-5H3,(H,16,17).
What are the key properties of 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 272.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).