2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid

C11H22N2O3S — CID 112662858

IUPAC2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
SMILESCSCC(C)N(C)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-8(10(14)15)6-12(3)11(16)13(4)9(2)7-17-5/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyRWRLABVHCZUJQA-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.44
Rot. Bonds6

About 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 112662858) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID112662858
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
SMILESCSCC(C)N(C)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-8(10(14)15)6-12(3)11(16)13(4)9(2)7-17-5/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyRWRLABVHCZUJQA-UHFFFAOYSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid
CID 112662894
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 79386168
2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoic acid
CID 112661463
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid
CID 112555224
4-hydroxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662882
3-[cyclopropyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662932
3-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662945
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333
2-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoic acid
CID 112661600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid (CID 112662858) is 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid is CSCC(C)N(C)C(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is RWRLABVHCZUJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8(10(14)15)6-12(3)11(16)13(4)9(2)7-17-5/h8-9H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 262.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 112662858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).