2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride

C6H19ClN2O3 — CID 158378476

IUPAC2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride
SMILESC.COC(=O)C[15NH2].Cl.[15NH2]CCO
InChIInChI=1S/C3H7NO2.C2H7NO.CH4.ClH/c1-6-3(5)2-4;3-1-2-4;;/h2,4H2,1H3;4H,1-3H2;1H4;1H/i4+1;3+1;;
InChIKeyGOQQLLWQKFXMSM-UTUWGADASA-N
MW204.67 g/mol
LogP-0.89
Rot. Bonds2

About 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride

2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride (PubChem CID 158378476) has the molecular formula C6H19ClN2O3 and a molecular weight of 204.67 g/mol. Its IUPAC name is 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride.

Molecular Properties

Compound Name2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride
PubChem CID158378476
Molecular FormulaC6H19ClN2O3
Molecular Weight204.67 g/mol
Exact Mass204.10
IUPAC Name2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride
SMILESC.COC(=O)C[15NH2].Cl.[15NH2]CCO
InChIInChI=1S/C3H7NO2.C2H7NO.CH4.ClH/c1-6-3(5)2-4;3-1-2-4;;/h2,4H2,1H3;4H,1-3H2;1H4;1H/i4+1;3+1;;
InChIKeyGOQQLLWQKFXMSM-UTUWGADASA-N
XLogP-0.89
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.67
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride?
The IUPAC name of 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride (CID 158378476) is 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride.
What is the SMILES notation for 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride?
The canonical SMILES for 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride is C.COC(=O)C[15NH2].Cl.[15NH2]CCO.
What is the InChIKey of 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride?
The InChIKey is GOQQLLWQKFXMSM-UTUWGADASA-N. The full InChI is InChI=1S/C3H7NO2.C2H7NO.CH4.ClH/c1-6-3(5)2-4;3-1-2-4;;/h2,4H2,1H3;4H,1-3H2;1H4;1H/i4+1;3+1;;.
What are the key properties of 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride?
2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride has a molecular weight of 204.67 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15N)azanylethanol;methane;methyl 2-(15N)azanylacetate;hydrochloride is sourced from PubChem (CID 158378476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).