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

C8H13NO3 — CID 117029758

IUPAC2-morpholin-4-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CCOCC1
InChIInChI=1S/C8H13NO3/c10-8(11)6-5-7(6)9-1-3-12-4-2-9/h6-7H,1-5H2,(H,10,11)
InChIKeyWHNSBTXVMQTGIO-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.21
Rot. Bonds2

About 2-morpholin-4-ylcyclopropane-1-carboxylic acid

2-morpholin-4-ylcyclopropane-1-carboxylic acid (PubChem CID 117029758) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-morpholin-4-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-ylcyclopropane-1-carboxylic acid
PubChem CID117029758
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-morpholin-4-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CCOCC1
InChIInChI=1S/C8H13NO3/c10-8(11)6-5-7(6)9-1-3-12-4-2-9/h6-7H,1-5H2,(H,10,11)
InChIKeyWHNSBTXVMQTGIO-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-morpholin-4-ylcyclopropane-1-carboxylic acid (CID 117029758) is 2-morpholin-4-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-morpholin-4-ylcyclopropane-1-carboxylic acid is O=C(O)C1CC1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylcyclopropane-1-carboxylic acid?
The InChIKey is WHNSBTXVMQTGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8(11)6-5-7(6)9-1-3-12-4-2-9/h6-7H,1-5H2,(H,10,11).
What are the key properties of 2-morpholin-4-ylcyclopropane-1-carboxylic acid?
2-morpholin-4-ylcyclopropane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 117029758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).