ethane;3-(4-methylmorpholin-2-yl)propanoic acid

C10H21NO3 — CID 144576570

IUPACethane;3-(4-methylmorpholin-2-yl)propanoic acid
SMILESCC.CN1CCOC(CCC(=O)O)C1
InChIInChI=1S/C8H15NO3.C2H6/c1-9-4-5-12-7(6-9)2-3-8(10)11;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3
InChIKeyNOODBFNWIVIVLQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.21
Rot. Bonds3

About ethane;3-(4-methylmorpholin-2-yl)propanoic acid

ethane;3-(4-methylmorpholin-2-yl)propanoic acid (PubChem CID 144576570) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethane;3-(4-methylmorpholin-2-yl)propanoic acid.

Molecular Properties

Compound Nameethane;3-(4-methylmorpholin-2-yl)propanoic acid
PubChem CID144576570
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethane;3-(4-methylmorpholin-2-yl)propanoic acid
SMILESCC.CN1CCOC(CCC(=O)O)C1
InChIInChI=1S/C8H15NO3.C2H6/c1-9-4-5-12-7(6-9)2-3-8(10)11;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3
InChIKeyNOODBFNWIVIVLQ-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methylmorpholin-2-yl)propanoic acid?
The IUPAC name of ethane;3-(4-methylmorpholin-2-yl)propanoic acid (CID 144576570) is ethane;3-(4-methylmorpholin-2-yl)propanoic acid.
What is the SMILES notation for ethane;3-(4-methylmorpholin-2-yl)propanoic acid?
The canonical SMILES for ethane;3-(4-methylmorpholin-2-yl)propanoic acid is CC.CN1CCOC(CCC(=O)O)C1.
What is the InChIKey of ethane;3-(4-methylmorpholin-2-yl)propanoic acid?
The InChIKey is NOODBFNWIVIVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C2H6/c1-9-4-5-12-7(6-9)2-3-8(10)11;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;3-(4-methylmorpholin-2-yl)propanoic acid?
ethane;3-(4-methylmorpholin-2-yl)propanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methylmorpholin-2-yl)propanoic acid is sourced from PubChem (CID 144576570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).