1-morpholin-4-ylcyclopropane-1-carboxylic acid

C8H13NO3 — CID 68758426

IUPAC1-morpholin-4-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CC1
InChIInChI=1S/C8H13NO3/c10-7(11)8(1-2-8)9-3-5-12-6-4-9/h1-6H2,(H,10,11)
InChIKeyNPOZCQILIXHVKG-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.06
Rot. Bonds2

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

1-morpholin-4-ylcyclopropane-1-carboxylic acid (PubChem CID 68758426) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-morpholin-4-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-ylcyclopropane-1-carboxylic acid
PubChem CID68758426
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-morpholin-4-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CC1
InChIInChI=1S/C8H13NO3/c10-7(11)8(1-2-8)9-3-5-12-6-4-9/h1-6H2,(H,10,11)
InChIKeyNPOZCQILIXHVKG-UHFFFAOYSA-N
XLogP-0.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22683151
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CID 25917324
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CID 27351736
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CID 29300003
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CID 30030650
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CID 43104020
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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-morpholin-4-ylcyclopropane-1-carboxylic acid (CID 68758426) is 1-morpholin-4-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-morpholin-4-ylcyclopropane-1-carboxylic acid is O=C(O)C1(N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-ylcyclopropane-1-carboxylic acid?
The InChIKey is NPOZCQILIXHVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(11)8(1-2-8)9-3-5-12-6-4-9/h1-6H2,(H,10,11).
What are the key properties of 1-morpholin-4-ylcyclopropane-1-carboxylic acid?
1-morpholin-4-ylcyclopropane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.06, 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 is sourced from PubChem (CID 68758426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).