2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid

C10H23N3O5S — CID 175328223

IUPAC2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O.NCCOS(=O)(=O)NC1CNC1
InChIInChI=1S/C5H13N3O3S.C5H10O2/c6-1-2-11-12(9,10)8-5-3-7-4-5;1-5(2,3)4(6)7/h5,7-8H,1-4,6H2;1-3H3,(H,6,7)
InChIKeyBMYOUQICCORYHD-UHFFFAOYSA-N
MW297.38 g/mol
LogP-1.12
Rot. Bonds5

About 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid

2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid (PubChem CID 175328223) has the molecular formula C10H23N3O5S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid
PubChem CID175328223
Molecular FormulaC10H23N3O5S
Molecular Weight297.38 g/mol
Exact Mass297.14
IUPAC Name2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O.NCCOS(=O)(=O)NC1CNC1
InChIInChI=1S/C5H13N3O3S.C5H10O2/c6-1-2-11-12(9,10)8-5-3-7-4-5;1-5(2,3)4(6)7/h5,7-8H,1-4,6H2;1-3H3,(H,6,7)
InChIKeyBMYOUQICCORYHD-UHFFFAOYSA-N
XLogP-1.12
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid?
The IUPAC name of 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid (CID 175328223) is 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid.
What is the SMILES notation for 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid?
The canonical SMILES for 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid is CC(C)(C)C(=O)O.NCCOS(=O)(=O)NC1CNC1.
What is the InChIKey of 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid?
The InChIKey is BMYOUQICCORYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O3S.C5H10O2/c6-1-2-11-12(9,10)8-5-3-7-4-5;1-5(2,3)4(6)7/h5,7-8H,1-4,6H2;1-3H3,(H,6,7).
What are the key properties of 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid?
2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid has a molecular weight of 297.38 g/mol, XLogP of -1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-(azetidin-3-yl)sulfamate;2,2-dimethylpropanoic acid is sourced from PubChem (CID 175328223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).