3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid

C9H17NO4 — CID 68948882

IUPAC3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid
SMILESO=C(O)CCC1CN(CCO)CCO1
InChIInChI=1S/C9H17NO4/c11-5-3-10-4-6-14-8(7-10)1-2-9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyVYFMBMRUTHXHTL-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.46
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid

3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid (PubChem CID 68948882) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid
PubChem CID68948882
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid
SMILESO=C(O)CCC1CN(CCO)CCO1
InChIInChI=1S/C9H17NO4/c11-5-3-10-4-6-14-8(7-10)1-2-9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyVYFMBMRUTHXHTL-UHFFFAOYSA-N
XLogP-0.46
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid?
The IUPAC name of 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid (CID 68948882) is 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid is O=C(O)CCC1CN(CCO)CCO1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid?
The InChIKey is VYFMBMRUTHXHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c11-5-3-10-4-6-14-8(7-10)1-2-9(12)13/h8,11H,1-7H2,(H,12,13).
What are the key properties of 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid?
3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)morpholin-2-yl]propanoic acid is sourced from PubChem (CID 68948882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).