2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid

C13H24N2O4 — CID 102658309

IUPAC2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(C)(C)NCCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)14-6-5-10(16)15-8-13(4,9-15)19-7-11(17)18/h14H,5-9H2,1-4H3,(H,17,18)
InChIKeyTZFQLBGGWARTCP-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.47
Rot. Bonds6

About 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658309) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658309
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(C)(C)NCCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)14-6-5-10(16)15-8-13(4,9-15)19-7-11(17)18/h14H,5-9H2,1-4H3,(H,17,18)
InChIKeyTZFQLBGGWARTCP-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-(Dimethylamino)propylamino]-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 87530807
Tert-butyl 3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]azetidine-1-carboxylate
CID 129052298
[1-[(3-Hydroxyazetidin-3-yl)methylamino]-1-oxobutan-2-yl] acetate
CID 153455007
2-Methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 171058828
2-[2-[[2-(3-Amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 176675274
ethane;1-ethyl-3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]azetidine-3-carboxamide
CID 176936404
2-[2-[[3-(Dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethoxy]acetic acid
CID 60662014
2-[2-[3-(Dimethylamino)propylamino]-2-oxoethoxy]acetic acid
CID 60662063
2-[2-[3-(Diethylamino)propylamino]-2-oxoethoxy]acetic acid
CID 60662257
2-[2-[[2-(Dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 61327262
2-[2-[[3-(Dimethylamino)-3-oxopropyl]amino]-2-oxoethoxy]acetic acid
CID 61328032
2-[2-[[3-(Diethylamino)-3-oxopropyl]amino]-2-oxoethoxy]acetic acid
CID 61328227

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102658309) is 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid is CC(C)(C)NCCC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is TZFQLBGGWARTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)14-6-5-10(16)15-8-13(4,9-15)19-7-11(17)18/h14H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 272.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(tert-butylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).