1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride

C8H14ClNO3 — CID 68758425

IUPAC1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(N2CCOCC2)CC1
InChIInChI=1S/C8H13NO3.ClH/c10-7(11)8(1-2-8)9-3-5-12-6-4-9;/h1-6H2,(H,10,11);1H
InChIKeyDEMHGYMSPZQYLC-UHFFFAOYSA-N
MW207.66 g/mol
LogP0.36
Rot. Bonds2

About 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride

1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 68758425) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride
PubChem CID68758425
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Name1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(N2CCOCC2)CC1
InChIInChI=1S/C8H13NO3.ClH/c10-7(11)8(1-2-8)9-3-5-12-6-4-9;/h1-6H2,(H,10,11);1H
InChIKeyDEMHGYMSPZQYLC-UHFFFAOYSA-N
XLogP0.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride (CID 68758425) is 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1(N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is DEMHGYMSPZQYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.ClH/c10-7(11)8(1-2-8)9-3-5-12-6-4-9;/h1-6H2,(H,10,11);1H.
What are the key properties of 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride?
1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylcyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 68758425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).