2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid

C11H18N2O2 — CID 106215248

IUPAC2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid
SMILESC#CCCCCNC1(CC(=O)O)CNC1
InChIInChI=1S/C11H18N2O2/c1-2-3-4-5-6-13-11(7-10(14)15)8-12-9-11/h1,12-13H,3-9H2,(H,14,15)
InChIKeyYWFXEZTUVRZKQH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.20
Rot. Bonds7

About 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid

2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid (PubChem CID 106215248) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid
PubChem CID106215248
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid
SMILESC#CCCCCNC1(CC(=O)O)CNC1
InChIInChI=1S/C11H18N2O2/c1-2-3-4-5-6-13-11(7-10(14)15)8-12-9-11/h1,12-13H,3-9H2,(H,14,15)
InChIKeyYWFXEZTUVRZKQH-UHFFFAOYSA-N
XLogP0.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
CID 107142488
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-[(1-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 107142761
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid
CID 107142583
oct-7-ynylcarbamic acid
CID 174966346
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 106137098
6-(hex-5-ynylamino)hexanoic acid
CID 106212008
2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
CID 106401951
2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
CID 107816746
2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
CID 106419710

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid (CID 106215248) is 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid is C#CCCCCNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid?
The InChIKey is YWFXEZTUVRZKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-4-5-6-13-11(7-10(14)15)8-12-9-11/h1,12-13H,3-9H2,(H,14,15).
What are the key properties of 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid?
2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid has a molecular weight of 210.28 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 106215248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).