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

C10H17NO5S — CID 60940763

IUPAC5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
SMILESCC1(NC(=O)CCCC(=O)O)CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO5S/c1-10(5-6-17(15,16)7-10)11-8(12)3-2-4-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyNPZOGADZOZKMDC-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.07
Rot. Bonds5

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

5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid (PubChem CID 60940763) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
PubChem CID60940763
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
SMILESCC1(NC(=O)CCCC(=O)O)CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO5S/c1-10(5-6-17(15,16)7-10)11-8(12)3-2-4-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyNPZOGADZOZKMDC-UHFFFAOYSA-N
XLogP-0.07
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
CID 82848148
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]propanoic acid
CID 129366944
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
4-(4-ethoxyphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8849501
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
4-[3-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]benzoic acid
CID 125153020
5-[[13-(4-carboxybutanoylamino)-6,13-dimethyl-1,4,8,11-tetrazacyclotetradec-6-yl]amino]-5-oxopentanoic acid
CID 46219136
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
4-(4-tert-butylphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8571377

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid (CID 60940763) is 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid is CC1(NC(=O)CCCC(=O)O)CCS(=O)(=O)C1.
What is the InChIKey of 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is NPZOGADZOZKMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-10(5-6-17(15,16)7-10)11-8(12)3-2-4-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid?
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 263.31 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 60940763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).