2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid

C13H26N2O3 — CID 79182003

IUPAC2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCC1CN(CC)CCO1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-6-13(3,12(16)17)14-9-11-10-15(5-2)7-8-18-11/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyQTAKHSXXMCOISJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.94
Rot. Bonds7

About 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid

2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid (PubChem CID 79182003) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid
PubChem CID79182003
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCC1CN(CC)CCO1)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-6-13(3,12(16)17)14-9-11-10-15(5-2)7-8-18-11/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyQTAKHSXXMCOISJ-UHFFFAOYSA-N
XLogP0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009171
2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 79071785
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78960685
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 114400938
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
CID 113235641

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid (CID 79182003) is 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid is CCCC(C)(NCC1CN(CC)CCO1)C(=O)O.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid?
The InChIKey is QTAKHSXXMCOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-6-13(3,12(16)17)14-9-11-10-15(5-2)7-8-18-11/h11,14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid?
2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 79182003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).