(2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid

C12H15ClN2O4 — CID 126434823

IUPAC(2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCc1cc(Cl)no1
InChIInChI=1S/C12H15ClN2O4/c13-10-7-8(19-14-10)4-5-11(16)15-6-2-1-3-9(15)12(17)18/h7,9H,1-6H2,(H,17,18)/t9-/m1/s1
InChIKeyNOVBAXRWSUPFBF-SECBINFHSA-N
MW286.71 g/mol
LogP1.73
Rot. Bonds4

About (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid

(2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 126434823) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid
PubChem CID126434823
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name(2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCc1cc(Cl)no1
InChIInChI=1S/C12H15ClN2O4/c13-10-7-8(19-14-10)4-5-11(16)15-6-2-1-3-9(15)12(17)18/h7,9H,1-6H2,(H,17,18)/t9-/m1/s1
InChIKeyNOVBAXRWSUPFBF-SECBINFHSA-N
XLogP1.73
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid (CID 126434823) is (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)CCc1cc(Cl)no1.
What is the InChIKey of (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is NOVBAXRWSUPFBF-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c13-10-7-8(19-14-10)4-5-11(16)15-6-2-1-3-9(15)12(17)18/h7,9H,1-6H2,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 286.71 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 126434823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).