2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid

C10H20N2O3S — CID 112662982

IUPAC2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
SMILESCSCC(C)N(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-7(6-16-5)12(4)9(15)11-10(2,3)8(13)14/h7H,6H2,1-5H3,(H,11,15)(H,13,14)
InChIKeyNRWRXRKVKVJAPX-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.24
Rot. Bonds5

About 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid

2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 112662982) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID112662982
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
SMILESCSCC(C)N(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O3S/c1-7(6-16-5)12(4)9(15)11-10(2,3)8(13)14/h7H,6H2,1-5H3,(H,11,15)(H,13,14)
InChIKeyNRWRXRKVKVJAPX-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61267138
4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 112661372
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
2,3-dimethyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 103955096
3-methyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662992
2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 112662995
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
4-hydroxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662882
3-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]benzoic acid
CID 115986634
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]benzoic acid
CID 112662993
2-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 115985474
3-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662945

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid (CID 112662982) is 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid is CSCC(C)N(C)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is NRWRXRKVKVJAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-7(6-16-5)12(4)9(15)11-10(2,3)8(13)14/h7H,6H2,1-5H3,(H,11,15)(H,13,14).
What are the key properties of 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid?
2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 248.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 112662982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).