2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid

C9H15NO3S — CID 119202509

IUPAC2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
SMILESCSCC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C9H15NO3S/c1-6(9(12)13)10(7-3-4-7)8(11)5-14-2/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyHZFANWQAOXPWNV-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.81
Rot. Bonds5

About 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid

2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid (PubChem CID 119202509) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
PubChem CID119202509
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
SMILESCSCC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C9H15NO3S/c1-6(9(12)13)10(7-3-4-7)8(11)5-14-2/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyHZFANWQAOXPWNV-UHFFFAOYSA-N
XLogP0.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 119202843
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-[cyclopropyl-[2-(4-methylphenyl)sulfanylacetyl]amino]propanoic acid
CID 119203061
2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid
CID 119203340
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432
2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
2-[cyclopropyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]propanoic acid
CID 119202171
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid
CID 122067112
2-[cyclopropyl-[2-(2,4,5-trifluorophenyl)acetyl]amino]propanoic acid
CID 122067370

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid (CID 119202509) is 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid is CSCC(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid?
The InChIKey is HZFANWQAOXPWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-6(9(12)13)10(7-3-4-7)8(11)5-14-2/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid?
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid has a molecular weight of 217.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid is sourced from PubChem (CID 119202509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).