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

C11H17NO5S — CID 43169412

IUPAC1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO5S/c13-9(8-3-6-18(16,17)7-8)12-11(10(14)15)4-1-2-5-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyZJHHHTFCARSWSO-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.07
Rot. Bonds3

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

1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43169412) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43169412
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO5S/c13-9(8-3-6-18(16,17)7-8)12-11(10(14)15)4-1-2-5-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyZJHHHTFCARSWSO-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
N-[1-(bromomethyl)cyclohexyl]-1,1-dioxothiolane-3-carboxamide
CID 113275545
1-(thiane-4-carbonylamino)cycloheptane-1-carboxylic acid
CID 120538857
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 115668925
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81139232
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115363944
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 103970156
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 115281131

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43169412) is 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZJHHHTFCARSWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c13-9(8-3-6-18(16,17)7-8)12-11(10(14)15)4-1-2-5-11/h8H,1-7H2,(H,12,13)(H,14,15).
What are the key properties of 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43169412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).