2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid

C12H20N2O5 — CID 65300132

IUPAC2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1COCCN1C(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-8-7-19-5-4-14(8)11(18)13-9(15)6-12(2,3)10(16)17/h8H,4-7H2,1-3H3,(H,16,17)(H,13,15,18)
InChIKeyRHVDXYLPYJDIGF-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.44
Rot. Bonds3

About 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid

2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 65300132) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID65300132
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1COCCN1C(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-8-7-19-5-4-14(8)11(18)13-9(15)6-12(2,3)10(16)17/h8H,4-7H2,1-3H3,(H,16,17)(H,13,15,18)
InChIKeyRHVDXYLPYJDIGF-UHFFFAOYSA-N
XLogP0.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 79800880
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62820763
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
(3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
CID 97340934
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid (CID 65300132) is 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid is CC1COCCN1C(=O)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is RHVDXYLPYJDIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8-7-19-5-4-14(8)11(18)13-9(15)6-12(2,3)10(16)17/h8H,4-7H2,1-3H3,(H,16,17)(H,13,15,18).
What are the key properties of 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid?
2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 65300132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).