3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid

C10H17NO6S — CID 54951312

IUPAC3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H17NO6S/c1-7(10(14)17-2)18(15,16)11(8-3-4-8)6-5-9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyNYZPEOJKWWTMNL-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.18
Rot. Bonds7

About 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid

3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid (PubChem CID 54951312) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid
PubChem CID54951312
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H17NO6S/c1-7(10(14)17-2)18(15,16)11(8-3-4-8)6-5-9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyNYZPEOJKWWTMNL-UHFFFAOYSA-N
XLogP-0.18
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid (CID 54951312) is 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid is COC(=O)C(C)S(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid?
The InChIKey is NYZPEOJKWWTMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-7(10(14)17-2)18(15,16)11(8-3-4-8)6-5-9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid?
3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid has a molecular weight of 279.31 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 54951312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).