[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

C13H19N5O6S — CID 55701306

IUPAC[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCC(OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C13H19N5O6S/c1-8(12(20)17-13(21)16-9-3-4-9)24-11(19)6-15-25(22,23)10-5-14-18(2)7-10/h5,7-9,15H,3-4,6H2,1-2H3,(H2,16,17,20,21)
InChIKeyNURNWTBUQNILSL-UHFFFAOYSA-N
MW373.39 g/mol
LogP-1.38
Rot. Bonds7

About [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (PubChem CID 55701306) has the molecular formula C13H19N5O6S and a molecular weight of 373.39 g/mol. Its IUPAC name is [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
PubChem CID55701306
Molecular FormulaC13H19N5O6S
Molecular Weight373.39 g/mol
Exact Mass373.11
IUPAC Name[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCC(OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C13H19N5O6S/c1-8(12(20)17-13(21)16-9-3-4-9)24-11(19)6-15-25(22,23)10-5-14-18(2)7-10/h5,7-9,15H,3-4,6H2,1-2H3,(H2,16,17,20,21)
InChIKeyNURNWTBUQNILSL-UHFFFAOYSA-N
XLogP-1.38
TPSA148.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The IUPAC name of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (CID 55701306) is [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is CC(OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The InChIKey is NURNWTBUQNILSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O6S/c1-8(12(20)17-13(21)16-9-3-4-9)24-11(19)6-15-25(22,23)10-5-14-18(2)7-10/h5,7-9,15H,3-4,6H2,1-2H3,(H2,16,17,20,21).
What are the key properties of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate has a molecular weight of 373.39 g/mol, XLogP of -1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 55701306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).