4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride

C9H16ClNO3 — CID 53393294

IUPAC4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CN(CC2CC2)CCO1
InChIInChI=1S/C9H15NO3.ClH/c11-9(12)8-6-10(3-4-13-8)5-7-1-2-7;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyZRAJRSKWDDZNHC-UHFFFAOYSA-N
MW221.68 g/mol
LogP0.60
Rot. Bonds3

About 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride

4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride (PubChem CID 53393294) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride
PubChem CID53393294
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CN(CC2CC2)CCO1
InChIInChI=1S/C9H15NO3.ClH/c11-9(12)8-6-10(3-4-13-8)5-7-1-2-7;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyZRAJRSKWDDZNHC-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride (CID 53393294) is 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CN(CC2CC2)CCO1.
What is the InChIKey of 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride?
The InChIKey is ZRAJRSKWDDZNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.ClH/c11-9(12)8-6-10(3-4-13-8)5-7-1-2-7;/h7-8H,1-6H2,(H,11,12);1H.
What are the key properties of 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride?
4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 53393294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).