2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid

C12H24N2O3 — CID 106115839

IUPAC2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid
SMILESCCCC(CCO)CNC1(CC(=O)O)CNC1
InChIInChI=1S/C12H24N2O3/c1-2-3-10(4-5-15)7-14-12(6-11(16)17)8-13-9-12/h10,13-15H,2-9H2,1H3,(H,16,17)
InChIKeyJVTNXHRSPLQEHQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.19
Rot. Bonds9

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

2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid (PubChem CID 106115839) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid
PubChem CID106115839
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid
SMILESCCCC(CCO)CNC1(CC(=O)O)CNC1
InChIInChI=1S/C12H24N2O3/c1-2-3-10(4-5-15)7-14-12(6-11(16)17)8-13-9-12/h10,13-15H,2-9H2,1H3,(H,16,17)
InChIKeyJVTNXHRSPLQEHQ-UHFFFAOYSA-N
XLogP0.19
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
CID 107816746
2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid
CID 107143176
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
CID 106116627
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid
CID 107142554
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
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
2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
CID 107143014

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid (CID 106115839) is 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid is CCCC(CCO)CNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid?
The InChIKey is JVTNXHRSPLQEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-3-10(4-5-15)7-14-12(6-11(16)17)8-13-9-12/h10,13-15H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid?
2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 0.19, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 106115839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).