2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid

C11H22N2O3S — CID 112662894

IUPAC2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCSCC(C)N(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-8(2)13(6-10(14)15)11(16)12(4)9(3)7-17-5/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyAASRWGUJXISULB-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.58
Rot. Bonds6

About 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid

2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 112662894) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID112662894
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCSCC(C)N(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-8(2)13(6-10(14)15)11(16)12(4)9(3)7-17-5/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyAASRWGUJXISULB-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198355
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid
CID 112555224
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662858
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
3-[cyclopropyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662932
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 61197296
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid (CID 112662894) is 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid is CSCC(C)N(C)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is AASRWGUJXISULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8(2)13(6-10(14)15)11(16)12(4)9(3)7-17-5/h8-9H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid?
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 262.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 112662894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).