1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride

C10H18ClNO3 — CID 71756402

IUPAC1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1C1CCOCC1
InChIInChI=1S/C10H17NO3.ClH/c12-10(13)9-2-1-5-11(9)8-3-6-14-7-4-8;/h8-9H,1-7H2,(H,12,13);1H
InChIKeyYOXKKDJGUNQMKJ-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.14
Rot. Bonds2

About 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride

1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 71756402) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID71756402
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1C1CCOCC1
InChIInChI=1S/C10H17NO3.ClH/c12-10(13)9-2-1-5-11(9)8-3-6-14-7-4-8;/h8-9H,1-7H2,(H,12,13);1H
InChIKeyYOXKKDJGUNQMKJ-UHFFFAOYSA-N
XLogP1.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 71756402) is 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is YOXKKDJGUNQMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.ClH/c12-10(13)9-2-1-5-11(9)8-3-6-14-7-4-8;/h8-9H,1-7H2,(H,12,13);1H.
What are the key properties of 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71756402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).