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

C11H18N2O6S — CID 62132707

IUPAC5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O6S/c14-9(2-1-3-10(15)16)13-11(17)12-6-8-4-5-20(18,19)7-8/h8H,1-7H2,(H,15,16)(H2,12,13,14,17)
InChIKeyYEVGAJUKRVNFNW-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.50
Rot. Bonds6

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

5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 62132707) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID62132707
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O6S/c14-9(2-1-3-10(15)16)13-11(17)12-6-8-4-5-20(18,19)7-8/h8H,1-7H2,(H,15,16)(H2,12,13,14,17)
InChIKeyYEVGAJUKRVNFNW-UHFFFAOYSA-N
XLogP-0.50
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]propanoic acid
CID 62131103
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
CID 79210223
1-(3-aminopropyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 117234622
N-[6-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]hexyl]formamide
CID 102566565
2-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55039191
5-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 43648968
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
5-[(1,1-dioxothiolan-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62966304
1-[[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451556
1-[(1,1-dioxothiolan-3-yl)methyl]-3-octadecylurea
CID 43827375
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
CID 61058518

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid (CID 62132707) is 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is YEVGAJUKRVNFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S/c14-9(2-1-3-10(15)16)13-11(17)12-6-8-4-5-20(18,19)7-8/h8H,1-7H2,(H,15,16)(H2,12,13,14,17).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid?
5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 306.34 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 62132707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).