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

C9H15NO3 — CID 68756904

IUPAC1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCOCC2)CC1
InChIInChI=1S/C9H15NO3/c11-8(12)9(1-2-9)7-10-3-5-13-6-4-10/h1-7H2,(H,11,12)
InChIKeyCLSNCMSRRHZGQQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.18
Rot. Bonds3

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

1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid (PubChem CID 68756904) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
PubChem CID68756904
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCOCC2)CC1
InChIInChI=1S/C9H15NO3/c11-8(12)9(1-2-9)7-10-3-5-13-6-4-10/h1-7H2,(H,11,12)
InChIKeyCLSNCMSRRHZGQQ-UHFFFAOYSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid (CID 68756904) is 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(CN2CCOCC2)CC1.
What is the InChIKey of 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid?
The InChIKey is CLSNCMSRRHZGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)9(1-2-9)7-10-3-5-13-6-4-10/h1-7H2,(H,11,12).
What are the key properties of 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid?
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.18, 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 is sourced from PubChem (CID 68756904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).