2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid

C14H26N2O4 — CID 129330308

IUPAC2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCCCCC(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-3-4-5-6-13(17)16-7-8-20-12(10-16)9-15(2)11-14(18)19/h12H,3-11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyALBPNDNXXLLUMK-LBPRGKRZSA-N
MW286.37 g/mol
LogP0.81
Rot. Bonds8

About 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid

2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 129330308) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID129330308
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCCCCC(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-3-4-5-6-13(17)16-7-8-20-12(10-16)9-15(2)11-14(18)19/h12H,3-11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyALBPNDNXXLLUMK-LBPRGKRZSA-N
XLogP0.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
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 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid (CID 129330308) is 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid is CCCCCC(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is ALBPNDNXXLLUMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-5-6-13(17)16-7-8-20-12(10-16)9-15(2)11-14(18)19/h12H,3-11H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid?
2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 129330308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).