2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid

C10H16N4O2 — CID 107142583

IUPAC2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCCn2ccnc2)CNC1
InChIInChI=1S/C10H16N4O2/c15-9(16)5-10(6-12-7-10)13-2-4-14-3-1-11-8-14/h1,3,8,12-13H,2,4-7H2,(H,15,16)
InChIKeyXUZTZIPCZXUOOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.71
Rot. Bonds6

About 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid

2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid (PubChem CID 107142583) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid
PubChem CID107142583
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCCn2ccnc2)CNC1
InChIInChI=1S/C10H16N4O2/c15-9(16)5-10(6-12-7-10)13-2-4-14-3-1-11-8-14/h1,3,8,12-13H,2,4-7H2,(H,15,16)
InChIKeyXUZTZIPCZXUOOO-UHFFFAOYSA-N
XLogP-0.71
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid (CID 107142583) is 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid is O=C(O)CC1(NCCn2ccnc2)CNC1.
What is the InChIKey of 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid?
The InChIKey is XUZTZIPCZXUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-9(16)5-10(6-12-7-10)13-2-4-14-3-1-11-8-14/h1,3,8,12-13H,2,4-7H2,(H,15,16).
What are the key properties of 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid?
2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid has a molecular weight of 224.26 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).