1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid

C10H17NO4S — CID 7130989

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-1-4-11(5-2-8)9-3-6-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)/t9-/m1/s1
InChIKeyLZGSJQNRMQTUOM-SECBINFHSA-N
MW247.32 g/mol
LogP-0.03
Rot. Bonds2

About 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid

1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid (PubChem CID 7130989) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid
PubChem CID7130989
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-1-4-11(5-2-8)9-3-6-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)/t9-/m1/s1
InChIKeyLZGSJQNRMQTUOM-SECBINFHSA-N
XLogP-0.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid (CID 7130989) is 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid?
The InChIKey is LZGSJQNRMQTUOM-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)8-1-4-11(5-2-8)9-3-6-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)/t9-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid?
1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 7130989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).