4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid

C15H28N2O4 — CID 102656230

IUPAC4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)COC1(C)CNC1)CCC(=O)O
InChIInChI=1S/C15H28N2O4/c1-3-4-12(5-6-14(19)20)7-8-17-13(18)9-21-15(2)10-16-11-15/h12,16H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWYBRVTXRKVOBPJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.15
Rot. Bonds11

About 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid

4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid (PubChem CID 102656230) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid
PubChem CID102656230
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)COC1(C)CNC1)CCC(=O)O
InChIInChI=1S/C15H28N2O4/c1-3-4-12(5-6-14(19)20)7-8-17-13(18)9-21-15(2)10-16-11-15/h12,16H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWYBRVTXRKVOBPJ-UHFFFAOYSA-N
XLogP1.15
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide
CID 102611576
(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
CID 107564991
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
CID 102656535
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
CID 64686457
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656234
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid (CID 102656230) is 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid is CCCC(CCNC(=O)COC1(C)CNC1)CCC(=O)O.
What is the InChIKey of 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid?
The InChIKey is WYBRVTXRKVOBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-4-12(5-6-14(19)20)7-8-17-13(18)9-21-15(2)10-16-11-15/h12,16H,3-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid?
4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.15, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid is sourced from PubChem (CID 102656230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).