2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid

C11H20N2O3 — CID 107143228

IUPAC2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCC2(CCO)CC2)CNC1
InChIInChI=1S/C11H20N2O3/c14-4-3-10(1-2-10)6-13-11(5-9(15)16)7-12-8-11/h12-14H,1-8H2,(H,15,16)
InChIKeyYKBMDYXUWNVFKR-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.44
Rot. Bonds7

About 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid

2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid (PubChem CID 107143228) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
PubChem CID107143228
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCC2(CCO)CC2)CNC1
InChIInChI=1S/C11H20N2O3/c14-4-3-10(1-2-10)6-13-11(5-9(15)16)7-12-8-11/h12-14H,1-8H2,(H,15,16)
InChIKeyYKBMDYXUWNVFKR-UHFFFAOYSA-N
XLogP-0.44
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(1-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 107142761
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid
CID 106115839
2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid
CID 107143176
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-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid
CID 107142554
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 106137098
2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
CID 107143014
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498
2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid
CID 114755967

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid (CID 107143228) is 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid is O=C(O)CC1(NCC2(CCO)CC2)CNC1.
What is the InChIKey of 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid?
The InChIKey is YKBMDYXUWNVFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-4-3-10(1-2-10)6-13-11(5-9(15)16)7-12-8-11/h12-14H,1-8H2,(H,15,16).
What are the key properties of 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid?
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of -0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).