1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol

C10H20N2O — CID 164963676

IUPAC1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol
SMILESC=C(N[C@H](C)C(C)C)N1CC(O)C1
InChIInChI=1S/C10H20N2O/c1-7(2)8(3)11-9(4)12-5-10(13)6-12/h7-8,10-11,13H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyLUEGTJQILKHNMJ-MRVPVSSYSA-N
MW184.28 g/mol
LogP0.77
Rot. Bonds4

About 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol

1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol (PubChem CID 164963676) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol
PubChem CID164963676
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol
SMILESC=C(N[C@H](C)C(C)C)N1CC(O)C1
InChIInChI=1S/C10H20N2O/c1-7(2)8(3)11-9(4)12-5-10(13)6-12/h7-8,10-11,13H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyLUEGTJQILKHNMJ-MRVPVSSYSA-N
XLogP0.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol?
The IUPAC name of 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol (CID 164963676) is 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol.
What is the SMILES notation for 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol?
The canonical SMILES for 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol is C=C(N[C@H](C)C(C)C)N1CC(O)C1.
What is the InChIKey of 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol?
The InChIKey is LUEGTJQILKHNMJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)8(3)11-9(4)12-5-10(13)6-12/h7-8,10-11,13H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol?
1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(2R)-3-methylbutan-2-yl]amino]ethenyl]azetidin-3-ol is sourced from PubChem (CID 164963676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).