2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid

C8H14N2O6S — CID 43117069

IUPAC2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
SMILESCNC(=O)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H14N2O6S/c1-4(6(11)10-8(14)9-3)17(15,16)5(2)7(12)13/h4-5H,1-3H3,(H,12,13)(H2,9,10,11,14)
InChIKeyRXOUKYDIDRTYPA-UHFFFAOYSA-N
MW266.28 g/mol
LogP-1.28
Rot. Bonds4

About 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid

2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid (PubChem CID 43117069) has the molecular formula C8H14N2O6S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
PubChem CID43117069
Molecular FormulaC8H14N2O6S
Molecular Weight266.28 g/mol
Exact Mass266.06
IUPAC Name2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
SMILESCNC(=O)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H14N2O6S/c1-4(6(11)10-8(14)9-3)17(15,16)5(2)7(12)13/h4-5H,1-3H3,(H,12,13)(H2,9,10,11,14)
InChIKeyRXOUKYDIDRTYPA-UHFFFAOYSA-N
XLogP-1.28
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2R)-2-[3-(ethylcarbamoylamino)-3-oxopropyl]sulfonylcyclopropane-1-carboxylic acid
CID 71034522
2-[2-(Carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 24690586
2-[2-Oxo-2-(propylamino)ethyl]sulfonylpropanoic acid
CID 24703583
3-[2-(Carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 24711773
(2S)-2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 40146781
(2R)-2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 40146783
2-[2-(2-Methylpropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 42901131
3-[1-(Methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43082840
3-[1-(Ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43082842
2-[1-(Methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43082893
2-[1-(Ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43082895
2-[1-(Methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylacetic acid
CID 43082972

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The IUPAC name of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid (CID 43117069) is 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid.
What is the SMILES notation for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The canonical SMILES for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid is CNC(=O)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The InChIKey is RXOUKYDIDRTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6S/c1-4(6(11)10-8(14)9-3)17(15,16)5(2)7(12)13/h4-5H,1-3H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid has a molecular weight of 266.28 g/mol, XLogP of -1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid is sourced from PubChem (CID 43117069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).