2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid

C10H20N2O5S — CID 79865055

IUPAC2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-5-8(9(13)14)12(3)10(15)11(2)6-7-18(4,16)17/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyCXRMUZCAADKJMY-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.12
Rot. Bonds6

About 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid

2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid (PubChem CID 79865055) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
PubChem CID79865055
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-5-8(9(13)14)12(3)10(15)11(2)6-7-18(4,16)17/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyCXRMUZCAADKJMY-UHFFFAOYSA-N
XLogP-0.12
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 81058123
2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
CID 79864248
2-[methyl(2-methylsulfonylethyl)amino]butanamide
CID 78924974
(2S)-3-methyl-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864611
2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79864879
2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 82951996
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid
CID 105419686
(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 80756409
2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858979
3-[methyl(2-methylsulfonylethyl)amino]pentanoic acid
CID 79858971
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid (CID 79865055) is 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid?
The InChIKey is CXRMUZCAADKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-5-8(9(13)14)12(3)10(15)11(2)6-7-18(4,16)17/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid?
2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79865055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).