4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid

C13H24N2O4 — CID 102656356

IUPAC4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)COC1(C)CNC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)4-10(12(17)18)5-15-11(16)6-19-13(3)7-14-8-13/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXTVPYAUWDCDLDM-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.23
Rot. Bonds8

About 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid

4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid (PubChem CID 102656356) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid
PubChem CID102656356
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)COC1(C)CNC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)4-10(12(17)18)5-15-11(16)6-19-13(3)7-14-8-13/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXTVPYAUWDCDLDM-UHFFFAOYSA-N
XLogP0.23
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611709
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
N-(2-cyanopropyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656133
N-(2-cyclopropylpropyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611512
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 102611630
N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
CID 102656442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid (CID 102656356) is 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)COC1(C)CNC1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid?
The InChIKey is XTVPYAUWDCDLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)4-10(12(17)18)5-15-11(16)6-19-13(3)7-14-8-13/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 102656356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).