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

C10H17NO4S — CID 51569868

IUPAC(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-2-1-4-11(6-8)9-3-5-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyDOJJWVPFWBVDKB-RKDXNWHRSA-N
MW247.32 g/mol
LogP-0.03
Rot. Bonds2

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

(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid (PubChem CID 51569868) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid
PubChem CID51569868
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-2-1-4-11(6-8)9-3-5-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyDOJJWVPFWBVDKB-RKDXNWHRSA-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 (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid (CID 51569868) is (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid?
The InChIKey is DOJJWVPFWBVDKB-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)8-2-1-4-11(6-8)9-3-5-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid?
(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-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 (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 51569868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).