2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid

C9H18N2O5S — CID 79555921

IUPAC2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-6(7(12)13)11-8(14)10-5-9(2,3)17(4,15)16/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14)
InChIKeyARWMWAGKXNGJHG-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.42
Rot. Bonds5

About 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid

2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid (PubChem CID 79555921) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
PubChem CID79555921
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-6(7(12)13)11-8(14)10-5-9(2,3)17(4,15)16/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14)
InChIKeyARWMWAGKXNGJHG-UHFFFAOYSA-N
XLogP-0.42
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid
CID 79556227
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 106110317
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
3-[[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]methyl]pentanoic acid
CID 81072041
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
2-ethyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]butanoic acid
CID 79803525
N-ethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]propanamide
CID 79551761

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid (CID 79555921) is 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid is CC(NC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid?
The InChIKey is ARWMWAGKXNGJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-6(7(12)13)11-8(14)10-5-9(2,3)17(4,15)16/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid?
2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 79555921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).