2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid

C13H26N2O2 — CID 107816746

IUPAC2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
SMILESCCCCC(CC)CNC1(CC(=O)O)CNC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-11(4-2)8-15-13(7-12(16)17)9-14-10-13/h11,14-15H,3-10H2,1-2H3,(H,16,17)
InChIKeyOIUPKFGDPKHXLX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.61
Rot. Bonds9

About 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid

2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid (PubChem CID 107816746) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
PubChem CID107816746
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
SMILESCCCCC(CC)CNC1(CC(=O)O)CNC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-11(4-2)8-15-13(7-12(16)17)9-14-10-13/h11,14-15H,3-10H2,1-2H3,(H,16,17)
InChIKeyOIUPKFGDPKHXLX-UHFFFAOYSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid
CID 107143176
(2-ethylhexylamino)carbamic acid
CID 151602670
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107143026
2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid
CID 107143147
N-(2-ethylhexyl)-1-methylcyclopentan-1-amine
CID 63492911
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 113363228
2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
CID 114004349
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid (CID 107816746) is 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid is CCCCC(CC)CNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid?
The InChIKey is OIUPKFGDPKHXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-6-11(4-2)8-15-13(7-12(16)17)9-14-10-13/h11,14-15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid?
2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid has a molecular weight of 242.36 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107816746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).