2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid

C8H13NO4S — CID 60982234

IUPAC2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid
SMILESCC(C(=O)O)S(=O)CC(=O)NC1CC1
InChIInChI=1S/C8H13NO4S/c1-5(8(11)12)14(13)4-7(10)9-6-2-3-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyZLTHDMRNLZKZTQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.51
Rot. Bonds5

About 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid

2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid (PubChem CID 60982234) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid
PubChem CID60982234
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid
SMILESCC(C(=O)O)S(=O)CC(=O)NC1CC1
InChIInChI=1S/C8H13NO4S/c1-5(8(11)12)14(13)4-7(10)9-6-2-3-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyZLTHDMRNLZKZTQ-UHFFFAOYSA-N
XLogP-0.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid
CID 60982463
3-[2-(cycloheptylamino)-2-oxoethyl]sulfinylbutanoic acid
CID 66115734
2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide
CID 81194624
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43468748
2-[[4-(cyclopropylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82042242
(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
CID 89423792
2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid
CID 105354775
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
N,N'-dicyclopropylbutanediamide
CID 5225156
3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
CID 62628133

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid?
The IUPAC name of 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid (CID 60982234) is 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid.
What is the SMILES notation for 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid?
The canonical SMILES for 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid is CC(C(=O)O)S(=O)CC(=O)NC1CC1.
What is the InChIKey of 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid?
The InChIKey is ZLTHDMRNLZKZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-5(8(11)12)14(13)4-7(10)9-6-2-3-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid?
2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid has a molecular weight of 219.26 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid is sourced from PubChem (CID 60982234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).