2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid

C11H19NO3S — CID 119202843

IUPAC2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
SMILESCSCC(C)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C11H19NO3S/c1-7(6-16-3)10(13)12(9-4-5-9)8(2)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyIYTASQGCBFLFPJ-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.45
Rot. Bonds6

About 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid

2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid (PubChem CID 119202843) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
PubChem CID119202843
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
SMILESCSCC(C)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C11H19NO3S/c1-7(6-16-3)10(13)12(9-4-5-9)8(2)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyIYTASQGCBFLFPJ-UHFFFAOYSA-N
XLogP1.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid
CID 119203340
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 75428964
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
CID 89492968
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid (CID 119202843) is 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid is CSCC(C)C(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The InChIKey is IYTASQGCBFLFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-7(6-16-3)10(13)12(9-4-5-9)8(2)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid has a molecular weight of 245.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 119202843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).