2-morpholin-4-ylbutanoic acid

C8H15NO3 — CID 13022017

IUPAC2-morpholin-4-ylbutanoic acid
SMILESCCC(C(=O)O)N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-2-7(8(10)11)9-3-5-12-6-4-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyWMDSBNWXSJDRMD-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.18
Rot. Bonds3

About 2-morpholin-4-ylbutanoic acid

2-morpholin-4-ylbutanoic acid (PubChem CID 13022017) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-morpholin-4-ylbutanoic acid
PubChem CID13022017
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-morpholin-4-ylbutanoic acid
SMILESCCC(C(=O)O)N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-2-7(8(10)11)9-3-5-12-6-4-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyWMDSBNWXSJDRMD-UHFFFAOYSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-morpholin-4-ylbutanoic acid (CID 13022017) is 2-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-morpholin-4-ylbutanoic acid is CCC(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylbutanoic acid?
The InChIKey is WMDSBNWXSJDRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-7(8(10)11)9-3-5-12-6-4-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-morpholin-4-ylbutanoic acid?
2-morpholin-4-ylbutanoic acid has a molecular weight of 173.21 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 2-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 13022017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).