5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid

C11H19NO5S — CID 43399752

IUPAC5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
SMILESCCN(C(=O)CCCC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO5S/c1-2-12(9-6-7-18(16,17)8-9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyCVSGYANESNEZCH-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.28
Rot. Bonds6

About 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid

5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid (PubChem CID 43399752) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
PubChem CID43399752
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
SMILESCCN(C(=O)CCCC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO5S/c1-2-12(9-6-7-18(16,17)8-9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyCVSGYANESNEZCH-UHFFFAOYSA-N
XLogP0.28
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
methyl 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-4-oxobutanoate
CID 110755941
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109017385
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-phenylsulfanylpropanamide
CID 94814769
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(1H-pyrazol-4-yl)butanamide
CID 70710324
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 110673907

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid (CID 43399752) is 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid is CCN(C(=O)CCCC(=O)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid?
The InChIKey is CVSGYANESNEZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-2-12(9-6-7-18(16,17)8-9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid?
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid has a molecular weight of 277.34 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 43399752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).