2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid

C9H18N2O3 — CID 131988885

IUPAC2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid
SMILESCC1(CCCN)CN(C(=O)O)CCO1
InChIInChI=1S/C9H18N2O3/c1-9(3-2-4-10)7-11(8(12)13)5-6-14-9/h2-7,10H2,1H3,(H,12,13)
InChIKeyZNIOWLCUYHQMLJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.49
Rot. Bonds3

About 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid

2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid (PubChem CID 131988885) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid
PubChem CID131988885
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid
SMILESCC1(CCCN)CN(C(=O)O)CCO1
InChIInChI=1S/C9H18N2O3/c1-9(3-2-4-10)7-11(8(12)13)5-6-14-9/h2-7,10H2,1H3,(H,12,13)
InChIKeyZNIOWLCUYHQMLJ-UHFFFAOYSA-N
XLogP0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid?
The IUPAC name of 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid (CID 131988885) is 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid.
What is the SMILES notation for 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid?
The canonical SMILES for 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid is CC1(CCCN)CN(C(=O)O)CCO1.
What is the InChIKey of 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid?
The InChIKey is ZNIOWLCUYHQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(3-2-4-10)7-11(8(12)13)5-6-14-9/h2-7,10H2,1H3,(H,12,13).
What are the key properties of 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid?
2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid is sourced from PubChem (CID 131988885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).