2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid

C13H24N2O4 — CID 102659222

IUPAC2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid
SMILESCCC(C)(C)NC(=O)CN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-5-12(2,3)14-10(16)6-15-8-13(4,9-15)19-7-11(17)18/h5-9H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyLTNSZQZUASISGT-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.47
Rot. Bonds7

About 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102659222) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid
PubChem CID102659222
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid
SMILESCCC(C)(C)NC(=O)CN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-5-12(2,3)14-10(16)6-15-8-13(4,9-15)19-7-11(17)18/h5-9H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyLTNSZQZUASISGT-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

2-[1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658346
2-[3-Methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid
CID 102659494
3-[[1-Methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid
CID 142729241
2-[2-[[2-(Dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 61327262
2-[2-[[2-(Tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426
2-[2-[[2-(Ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
CID 79456861
2-[2-[[2-Methyl-2-(methylamino)propanoyl]amino]ethoxy]acetic acid
CID 79457209
2-[2-[[2-(Tert-butylamino)acetyl]amino]ethoxy]acetic acid
CID 79457490
2-Methyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanoic acid
CID 102656072
2-[Tert-butyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
CID 102656329
2-[1-[2-(2,2-Dimethylpropanoylamino)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657182
2-[1-[2-(Carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657209

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid (CID 102659222) is 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid is CCC(C)(C)NC(=O)CN1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is LTNSZQZUASISGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-12(2,3)14-10(16)6-15-8-13(4,9-15)19-7-11(17)18/h5-9H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 272.34 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).