2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid

C11H20N2O5S — CID 64643053

IUPAC2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(CS(C)(=O)=O)NC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O5S/c1-7(6-19(3,17)18)12-10(16)13-11(2,9(14)15)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyFKVNGXBYTOGVTK-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.03
Rot. Bonds6

About 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid

2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 64643053) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid
PubChem CID64643053
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(CS(C)(=O)=O)NC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O5S/c1-7(6-19(3,17)18)12-10(16)13-11(2,9(14)15)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyFKVNGXBYTOGVTK-UHFFFAOYSA-N
XLogP-0.03
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64643013
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CID 16794049
2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 61183248
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CID 103995660
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CID 61198697
2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61197563
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115910047
3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)butanoic acid
CID 81069676
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-cyclopropyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 61475527

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid (CID 64643053) is 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid is CC(CS(C)(=O)=O)NC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is FKVNGXBYTOGVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-7(6-19(3,17)18)12-10(16)13-11(2,9(14)15)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid?
2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 292.36 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 64643053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).