2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid

C13H26N2O3 — CID 64709559

IUPAC2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid
SMILESCC1CN(C(C)CC(C)(N)C(=O)O)CC(C)(C)O1
InChIInChI=1S/C13H26N2O3/c1-9(6-13(5,14)11(16)17)15-7-10(2)18-12(3,4)8-15/h9-10H,6-8,14H2,1-5H3,(H,16,17)
InChIKeyPKXNEJHGHQFOMZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid

2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid (PubChem CID 64709559) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid
PubChem CID64709559
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid
SMILESCC1CN(C(C)CC(C)(N)C(=O)O)CC(C)(C)O1
InChIInChI=1S/C13H26N2O3/c1-9(6-13(5,14)11(16)17)15-7-10(2)18-12(3,4)8-15/h9-10H,6-8,14H2,1-5H3,(H,16,17)
InChIKeyPKXNEJHGHQFOMZ-UHFFFAOYSA-N
XLogP1.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(2,2,6-trimethylmorpholin-4-yl)pentan-1-ol
CID 64789765
2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
CID 64725193
2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 79810878
2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid
CID 64709975
2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
2-(2,2,6-trimethylmorpholin-4-yl)but-3-enoic acid
CID 127018790
N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline
CID 62568875
tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate
CID 102729910
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
N-(cyclopropylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide
CID 47430332
N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide
CID 48632914
2-amino-2-phenyl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120590196

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid (CID 64709559) is 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid is CC1CN(C(C)CC(C)(N)C(=O)O)CC(C)(C)O1.
What is the InChIKey of 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid?
The InChIKey is PKXNEJHGHQFOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(6-13(5,14)11(16)17)15-7-10(2)18-12(3,4)8-15/h9-10H,6-8,14H2,1-5H3,(H,16,17).
What are the key properties of 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid?
2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid is sourced from PubChem (CID 64709559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).