2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid

C10H19NO5S — CID 43117065

IUPAC2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
SMILESCCC(C)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-5-6(2)11-9(12)7(3)17(15,16)8(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyBCIQNDWOGAOVGX-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.18
Rot. Bonds6

About 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid

2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid (PubChem CID 43117065) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
PubChem CID43117065
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
SMILESCCC(C)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-5-6(2)11-9(12)7(3)17(15,16)8(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyBCIQNDWOGAOVGX-UHFFFAOYSA-N
XLogP0.18
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]sulfonylbutanoic acid
CID 104539562
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
(2S)-2-(2-propan-2-ylsulfonylpropanoylamino)propanoic acid
CID 103791061
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
CID 14711535
(2S)-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517781
2-acetamido-3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 107768155
(2R)-2-acetamido-3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 107774946
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 43117052
3-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfanyl-2-methylpropanoic acid
CID 64914907
2-(2-methylbutylsulfonyl)propanoic acid
CID 62105863
N-butan-2-yl-2-propylpentanamide
CID 115532227

Frequently Asked Questions

What is the IUPAC name of 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The IUPAC name of 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid (CID 43117065) is 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid.
What is the SMILES notation for 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The canonical SMILES for 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid is CCC(C)NC(=O)C(C)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The InChIKey is BCIQNDWOGAOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-5-6(2)11-9(12)7(3)17(15,16)8(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid is sourced from PubChem (CID 43117065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).