2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid

C10H19NO3S — CID 119198355

IUPAC2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid
SMILESCSCC(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H19NO3S/c1-7(2)11(5-9(12)13)10(14)8(3)6-15-4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyBXQFKOAEAJMNGJ-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.31
Rot. Bonds6

About 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid

2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid (PubChem CID 119198355) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid
PubChem CID119198355
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid
SMILESCSCC(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H19NO3S/c1-7(2)11(5-9(12)13)10(14)8(3)6-15-4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyBXQFKOAEAJMNGJ-UHFFFAOYSA-N
XLogP1.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198254
2-[(2-methyl-3-methylsulfanylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 115730558
2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid
CID 79201889
2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 75428964
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid
CID 112662894
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080
(2S)-2-[carboxymethyl-[(2S)-2-methyl-3-sulfanylpropanoyl]amino]propanoic acid
CID 57061099
(2R)-2-methyl-3-methylsulfanylpropanamide
CID 118633949
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
2-[2-benzylsulfanylpropanoyl(propan-2-yl)amino]acetic acid
CID 119198417
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid (CID 119198355) is 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid is CSCC(C)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid?
The InChIKey is BXQFKOAEAJMNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(2)11(5-9(12)13)10(14)8(3)6-15-4/h7-8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid?
2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid has a molecular weight of 233.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).