2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid

C12H21N3O5 — CID 106097890

IUPAC2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCC(C)(CC(N)=O)NC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-12(2,6-9(13)16)14-11(19)15-3-4-20-8(7-15)5-10(17)18/h8H,3-7H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyWJPULSFXCXCCLE-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.47
Rot. Bonds5

About 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 106097890) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID106097890
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCC(C)(CC(N)=O)NC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-12(2,6-9(13)16)14-11(19)15-3-4-20-8(7-15)5-10(17)18/h8H,3-7H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyWJPULSFXCXCCLE-UHFFFAOYSA-N
XLogP-0.47
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878
2-[(2S)-4-(2,2-dimethylbutanoyl)morpholin-2-yl]acetic acid
CID 124515405
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433295
2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434839

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid (CID 106097890) is 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid is CC(C)(CC(N)=O)NC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is WJPULSFXCXCCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-12(2,6-9(13)16)14-11(19)15-3-4-20-8(7-15)5-10(17)18/h8H,3-7H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 106097890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).