1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride

C9H16ClNO3 — CID 167732122

IUPAC1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CN2CCOCC2)CC1
InChIInChI=1S/C9H15NO3.ClH/c11-8(12)9(1-2-9)7-10-3-5-13-6-4-10;/h1-7H2,(H,11,12);1H
InChIKeyHVRUGAALGPLTHN-UHFFFAOYSA-N
MW221.68 g/mol
LogP0.61
Rot. Bonds3

About 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride

1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 167732122) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID167732122
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CN2CCOCC2)CC1
InChIInChI=1S/C9H15NO3.ClH/c11-8(12)9(1-2-9)7-10-3-5-13-6-4-10;/h1-7H2,(H,11,12);1H
InChIKeyHVRUGAALGPLTHN-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-3-(morpholin-4-yl)propanoic acid hydrochloride
CID 126809365
2-(1-(Morpholin-4-yl)cyclopropyl)acetic acid hydrochloride
CID 165747233
2,2-Dimethyl-3-morpholinopropanoic acid
CID 21465515
3-Morpholin-4-ylpropyl 1-methylcyclopropane-1-carboxylate
CID 21304408
Ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate
CID 21304434
2-(Morpholin-4-ylmethyl)butanoic acid
CID 22910333
1-[(2-Propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 58468897
1-[[(2S)-2-methylmorpholin-4-yl]methyl]cyclopropane-1-carboxylic acid
CID 68221433
1-[(2-Iodomorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 68246302
1-(Morpholinomethyl)cyclopropanecarboxylic acid
CID 68756904
Ethyl 1-(morpholinomethyl)cyclopropane-1-carboxylate
CID 68758464
1-[(2-Methylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 77429260

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 167732122) is 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1(CN2CCOCC2)CC1.
What is the InChIKey of 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is HVRUGAALGPLTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.ClH/c11-8(12)9(1-2-9)7-10-3-5-13-6-4-10;/h1-7H2,(H,11,12);1H.
What are the key properties of 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride?
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 167732122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).