2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid

C8H13NO4S — CID 60982463

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

About 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid

2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid (PubChem CID 60982463) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid
PubChem CID60982463
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid
SMILESCC(C(=O)NC1CC1)S(=O)CC(=O)O
InChIInChI=1S/C8H13NO4S/c1-5(14(13)4-7(10)11)8(12)9-6-2-3-6/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11)
InChIKeyQXWLLJZSJGVOTD-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-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 60982234
2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide
CID 81189391
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
3-[2-(cycloheptylamino)-2-oxoethyl]sulfinylbutanoic acid
CID 66115734
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
N-cyclopropyl-2-ethylbutanamide
CID 5151098
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468
3-[(4-ethylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898215
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid?
The IUPAC name of 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid (CID 60982463) is 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid.
What is the SMILES notation for 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid?
The canonical SMILES for 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid is CC(C(=O)NC1CC1)S(=O)CC(=O)O.
What is the InChIKey of 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid?
The InChIKey is QXWLLJZSJGVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-5(14(13)4-7(10)11)8(12)9-6-2-3-6/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid?
2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic 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-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid is sourced from PubChem (CID 60982463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).