5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid

C12H20N2O6 — CID 102656504

IUPAC5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)COC1(C)CNC1)C(=O)O
InChIInChI=1S/C12H20N2O6/c1-12(6-13-7-12)20-5-9(15)14-8(11(17)18)3-4-10(16)19-2/h8,13H,3-7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyBGPFVOGZGIEZNA-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.11
Rot. Bonds8

About 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid

5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid (PubChem CID 102656504) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid
PubChem CID102656504
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)COC1(C)CNC1)C(=O)O
InChIInChI=1S/C12H20N2O6/c1-12(6-13-7-12)20-5-9(15)14-8(11(17)18)3-4-10(16)19-2/h8,13H,3-7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyBGPFVOGZGIEZNA-UHFFFAOYSA-N
XLogP-1.11
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
CID 107564991
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
CID 102656442
5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
CID 82781715
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786420
(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005141
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
CID 103206219
2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
CID 102656029

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid (CID 102656504) is 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)COC1(C)CNC1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid?
The InChIKey is BGPFVOGZGIEZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-12(6-13-7-12)20-5-9(15)14-8(11(17)18)3-4-10(16)19-2/h8,13H,3-7H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid?
5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid has a molecular weight of 288.30 g/mol, XLogP of -1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 102656504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).