5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane

C12H26N2O3 — CID 143775627

IUPAC5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane
SMILESCC.NCC1CN(CCCCC(=O)O)CCO1
InChIInChI=1S/C10H20N2O3.C2H6/c11-7-9-8-12(5-6-15-9)4-2-1-3-10(13)14;1-2/h9H,1-8,11H2,(H,13,14);1-2H3
InChIKeyHLSWXYXONDBJNV-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.93
Rot. Bonds6

About 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane

5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane (PubChem CID 143775627) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane.

Molecular Properties

Compound Name5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane
PubChem CID143775627
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane
SMILESCC.NCC1CN(CCCCC(=O)O)CCO1
InChIInChI=1S/C10H20N2O3.C2H6/c11-7-9-8-12(5-6-15-9)4-2-1-3-10(13)14;1-2/h9H,1-8,11H2,(H,13,14);1-2H3
InChIKeyHLSWXYXONDBJNV-UHFFFAOYSA-N
XLogP0.93
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane?
The IUPAC name of 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane (CID 143775627) is 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane.
What is the SMILES notation for 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane?
The canonical SMILES for 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane is CC.NCC1CN(CCCCC(=O)O)CCO1.
What is the InChIKey of 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane?
The InChIKey is HLSWXYXONDBJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.C2H6/c11-7-9-8-12(5-6-15-9)4-2-1-3-10(13)14;1-2/h9H,1-8,11H2,(H,13,14);1-2H3.
What are the key properties of 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane?
5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane has a molecular weight of 246.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)morpholin-4-yl]pentanoic acid;ethane is sourced from PubChem (CID 143775627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).