2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid

C14H26N2O4 — CID 43529638

IUPAC2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-11(2)14(3,13(18)19)10-12(17)15-4-5-16-6-8-20-9-7-16/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyRFJCWUIRRXMCFM-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.57
Rot. Bonds7

About 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid

2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 43529638) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID43529638
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-11(2)14(3,13(18)19)10-12(17)15-4-5-16-6-8-20-9-7-16/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyRFJCWUIRRXMCFM-UHFFFAOYSA-N
XLogP0.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(azepan-1-yl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61241356
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadecanamide
CID 54522748
4-(2-imidazol-1-ylethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61324907
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
4-(2-ethylsulfinylethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 113494470
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 25171579
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
3,3,3-trifluoro-2-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)propanoic acid
CID 79791519
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid (CID 43529638) is 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid is CC(C)C(C)(CC(=O)NCCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is RFJCWUIRRXMCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(2)14(3,13(18)19)10-12(17)15-4-5-16-6-8-20-9-7-16/h11H,4-10H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid?
2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 43529638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).