2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid

C8H15NO5S — CID 81078657

IUPAC2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid
SMILESCOCC(NS(=O)(=O)CC1CC1)C(=O)O
InChIInChI=1S/C8H15NO5S/c1-14-4-7(8(10)11)9-15(12,13)5-6-2-3-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyMCHSTFZCURCXHU-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.58
Rot. Bonds7

About 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid

2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid (PubChem CID 81078657) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid
PubChem CID81078657
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid
SMILESCOCC(NS(=O)(=O)CC1CC1)C(=O)O
InChIInChI=1S/C8H15NO5S/c1-14-4-7(8(10)11)9-15(12,13)5-6-2-3-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyMCHSTFZCURCXHU-UHFFFAOYSA-N
XLogP-0.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid?
The IUPAC name of 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid (CID 81078657) is 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid is COCC(NS(=O)(=O)CC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid?
The InChIKey is MCHSTFZCURCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-14-4-7(8(10)11)9-15(12,13)5-6-2-3-6/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid?
2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid is sourced from PubChem (CID 81078657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).