(2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol

C7H16N2O — CID 138622819

IUPAC(2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol
SMILESCNC1CN(C[C@@H](C)O)C1
InChIInChI=1S/C7H16N2O/c1-6(10)3-9-4-7(5-9)8-2/h6-8,10H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyVBRQJEBWQNXPLR-ZCFIWIBFSA-N
MW144.22 g/mol
LogP-0.73
Rot. Bonds3

About (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol

(2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol (PubChem CID 138622819) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol
PubChem CID138622819
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol
SMILESCNC1CN(C[C@@H](C)O)C1
InChIInChI=1S/C7H16N2O/c1-6(10)3-9-4-7(5-9)8-2/h6-8,10H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyVBRQJEBWQNXPLR-ZCFIWIBFSA-N
XLogP-0.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol (CID 138622819) is (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol is CNC1CN(C[C@@H](C)O)C1.
What is the InChIKey of (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol?
The InChIKey is VBRQJEBWQNXPLR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(10)3-9-4-7(5-9)8-2/h6-8,10H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol?
(2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol has a molecular weight of 144.22 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(methylamino)azetidin-1-yl]propan-2-ol is sourced from PubChem (CID 138622819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).