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

C10H17NO3S — CID 119203340

IUPAC2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid
SMILESCSC(C)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C10H17NO3S/c1-6(10(13)14)11(8-4-5-8)9(12)7(2)15-3/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyKKPTZERHIQGSNU-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.20
Rot. Bonds5

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

2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid (PubChem CID 119203340) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid
PubChem CID119203340
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid
SMILESCSC(C)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C10H17NO3S/c1-6(10(13)14)11(8-4-5-8)9(12)7(2)15-3/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyKKPTZERHIQGSNU-UHFFFAOYSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.20
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(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid
CID 129466617
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide
CID 78874136
2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 119202682
2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid
CID 119203577
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
N-cyclopropyl-2-methyl-N-propan-2-ylpropanamide
CID 110872845
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382
(2S)-2-[amino(cyclohexyl)amino]propanoic acid
CID 54156579

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid (CID 119203340) is 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid is CSC(C)C(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid?
The InChIKey is KKPTZERHIQGSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-6(10(13)14)11(8-4-5-8)9(12)7(2)15-3/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid?
2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid has a molecular weight of 231.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylsulfanylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 119203340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).