3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid

C9H17NO4 — CID 62534902

IUPAC3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
SMILESCOCC(C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO4/c1-9(7-13-2,8(11)12)10-3-5-14-6-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyGBMKLQKCZRAYLV-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.19
Rot. Bonds4

About 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid

3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid (PubChem CID 62534902) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
PubChem CID62534902
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
SMILESCOCC(C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO4/c1-9(7-13-2,8(11)12)10-3-5-14-6-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyGBMKLQKCZRAYLV-UHFFFAOYSA-N
XLogP-0.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid (CID 62534902) is 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid is COCC(C)(C(=O)O)N1CCOCC1.
What is the InChIKey of 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid?
The InChIKey is GBMKLQKCZRAYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(7-13-2,8(11)12)10-3-5-14-6-4-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid?
3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 62534902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).