2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid

C11H20N2O4 — CID 79800880

IUPAC2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)N1CCOCC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-11(3,9(14)15)12-10(16)13-5-6-17-7-8(13)2/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyMLHNANOIATXFPW-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds3

About 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid

2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 79800880) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID79800880
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)N1CCOCC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-11(3,9(14)15)12-10(16)13-5-6-17-7-8(13)2/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyMLHNANOIATXFPW-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 65300132
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-methylbutanoic acid
CID 79801133
2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62820763
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
(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
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide
CID 71985639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid (CID 79800880) is 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)N1CCOCC1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is MLHNANOIATXFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-11(3,9(14)15)12-10(16)13-5-6-17-7-8(13)2/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid?
2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79800880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).