5-hydroxypiperidine-3-carboxylic acid;toluene

C13H19NO3 — CID 174657604

IUPAC5-hydroxypiperidine-3-carboxylic acid;toluene
SMILESCc1ccccc1.O=C(O)C1CNCC(O)C1
InChIInChI=1S/C7H8.C6H11NO3/c1-7-5-3-2-4-6-7;8-5-1-4(6(9)10)2-7-3-5/h2-6H,1H3;4-5,7-8H,1-3H2,(H,9,10)
InChIKeyMTCLUBXFOQNQSX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.04
Rot. Bonds1

About 5-hydroxypiperidine-3-carboxylic acid;toluene

5-hydroxypiperidine-3-carboxylic acid;toluene (PubChem CID 174657604) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-hydroxypiperidine-3-carboxylic acid;toluene.

Molecular Properties

Compound Name5-hydroxypiperidine-3-carboxylic acid;toluene
PubChem CID174657604
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-hydroxypiperidine-3-carboxylic acid;toluene
SMILESCc1ccccc1.O=C(O)C1CNCC(O)C1
InChIInChI=1S/C7H8.C6H11NO3/c1-7-5-3-2-4-6-7;8-5-1-4(6(9)10)2-7-3-5/h2-6H,1H3;4-5,7-8H,1-3H2,(H,9,10)
InChIKeyMTCLUBXFOQNQSX-UHFFFAOYSA-N
XLogP1.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypiperidine-3-carboxylic acid;toluene?
The IUPAC name of 5-hydroxypiperidine-3-carboxylic acid;toluene (CID 174657604) is 5-hydroxypiperidine-3-carboxylic acid;toluene.
What is the SMILES notation for 5-hydroxypiperidine-3-carboxylic acid;toluene?
The canonical SMILES for 5-hydroxypiperidine-3-carboxylic acid;toluene is Cc1ccccc1.O=C(O)C1CNCC(O)C1.
What is the InChIKey of 5-hydroxypiperidine-3-carboxylic acid;toluene?
The InChIKey is MTCLUBXFOQNQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H11NO3/c1-7-5-3-2-4-6-7;8-5-1-4(6(9)10)2-7-3-5/h2-6H,1H3;4-5,7-8H,1-3H2,(H,9,10).
What are the key properties of 5-hydroxypiperidine-3-carboxylic acid;toluene?
5-hydroxypiperidine-3-carboxylic acid;toluene has a molecular weight of 237.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypiperidine-3-carboxylic acid;toluene is sourced from PubChem (CID 174657604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).