2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid

C10H20N2O3 — CID 107143176

IUPAC2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid
SMILESCCC(CCO)NC1(CC(=O)O)CNC1
InChIInChI=1S/C10H20N2O3/c1-2-8(3-4-13)12-10(5-9(14)15)6-11-7-10/h8,11-13H,2-7H2,1H3,(H,14,15)
InChIKeyXJEJYQNHBFCBJC-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.45
Rot. Bonds7

About 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid

2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid (PubChem CID 107143176) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid
PubChem CID107143176
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid
SMILESCCC(CCO)NC1(CC(=O)O)CNC1
InChIInChI=1S/C10H20N2O3/c1-2-8(3-4-13)12-10(5-9(14)15)6-11-7-10/h8,11-13H,2-7H2,1H3,(H,14,15)
InChIKeyXJEJYQNHBFCBJC-UHFFFAOYSA-N
XLogP-0.45
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid
CID 106115839
2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
CID 107816746
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142528
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142581
2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid
CID 107142914
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid
CID 107142821
2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107143026

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid (CID 107143176) is 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid is CCC(CCO)NC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid?
The InChIKey is XJEJYQNHBFCBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-8(3-4-13)12-10(5-9(14)15)6-11-7-10/h8,11-13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid?
2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid has a molecular weight of 216.28 g/mol, XLogP of -0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).