2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid

C13H26N2O3 — CID 79182699

IUPAC2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid
SMILESCN1CCOC(CNC(C)(C)C(C)(C)C(=O)O)C1
InChIInChI=1S/C13H26N2O3/c1-12(2,11(16)17)13(3,4)14-8-10-9-15(5)6-7-18-10/h10,14H,6-9H2,1-5H3,(H,16,17)
InChIKeyGWKIVYAGKGFDAD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.80
Rot. Bonds5

About 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid

2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid (PubChem CID 79182699) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid
PubChem CID79182699
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid
SMILESCN1CCOC(CNC(C)(C)C(C)(C)C(=O)O)C1
InChIInChI=1S/C13H26N2O3/c1-12(2,11(16)17)13(3,4)14-8-10-9-15(5)6-7-18-10/h10,14H,6-9H2,1-5H3,(H,16,17)
InChIKeyGWKIVYAGKGFDAD-UHFFFAOYSA-N
XLogP0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine
CID 79172199
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 115616636
2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol
CID 107865293
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 79071785

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid (CID 79182699) is 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid is CN1CCOC(CNC(C)(C)C(C)(C)C(=O)O)C1.
What is the InChIKey of 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid?
The InChIKey is GWKIVYAGKGFDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,11(16)17)13(3,4)14-8-10-9-15(5)6-7-18-10/h10,14H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid?
2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid is sourced from PubChem (CID 79182699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).