3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H17NO5S — CID 66032305

IUPAC3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H17NO5S/c13-10(8-3-4-18(16,17)6-8)12-9-2-1-7(5-9)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)
InChIKeyALIFPRDVNLOKJO-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.21
Rot. Bonds3

About 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032305) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032305
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H17NO5S/c13-10(8-3-4-18(16,17)6-8)12-9-2-1-7(5-9)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)
InChIKeyALIFPRDVNLOKJO-UHFFFAOYSA-N
XLogP-0.21
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 43392962
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,1-dioxothiolane-3-carboxamide
CID 64912129
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide
CID 56742780
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927
N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
CID 63257894
cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320857
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 110223508

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66032305) is 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ALIFPRDVNLOKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c13-10(8-3-4-18(16,17)6-8)12-9-2-1-7(5-9)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).