2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid

C8H15NO4 — CID 130593590

IUPAC2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid
SMILESCC1CN(CC(O)C(=O)O)CCO1
InChIInChI=1S/C8H15NO4/c1-6-4-9(2-3-13-6)5-7(10)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyWMNKQNCLZRRASP-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.85
Rot. Bonds3

About 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid

2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid (PubChem CID 130593590) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid
PubChem CID130593590
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid
SMILESCC1CN(CC(O)C(=O)O)CCO1
InChIInChI=1S/C8H15NO4/c1-6-4-9(2-3-13-6)5-7(10)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyWMNKQNCLZRRASP-UHFFFAOYSA-N
XLogP-0.85
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetylmorpholine-2-carboxylic acid
CID 20598078
4-Methylmorpholine-2-carboxylic acid hydrochloride
CID 45480217
4-Ethylmorpholine-2-carboxylic acid hydrochloride
CID 54595624
4-(Propan-2-yl)morpholine-2-carboxylic acid hydrochloride
CID 86812236
4-Methylmorpholine-2-carboxylic acid
CID 23079674
4-Ethylmorpholine-2-carboxylic acid
CID 54569745
4-(Propan-2-yl)morpholine-2-carboxylic acid
CID 61736984
4-[2-(2,2,2-Trifluoroethoxy)ethyl]morpholine-2-carboxylic acid
CID 61736409
4-[3-(2,2,2-Trifluoroethoxy)propyl]morpholine-2-carboxylic acid
CID 61736410
4-(3,3,3-Trifluoro-2-hydroxypropyl)morpholine-2-carboxylic acid
CID 63899862
4-[2-(Trifluoromethoxy)ethyl]morpholine-2-carboxylic acid
CID 65805019
4-(2-Fluoroethyl)morpholine-2-carboxylic acid
CID 80695257

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid (CID 130593590) is 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid is CC1CN(CC(O)C(=O)O)CCO1.
What is the InChIKey of 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid?
The InChIKey is WMNKQNCLZRRASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6-4-9(2-3-13-6)5-7(10)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid?
2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid is sourced from PubChem (CID 130593590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).