3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid

C11H20N2O4 — CID 61202209

IUPAC3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C11H20N2O4/c1-8(6-9(14)15)12-10(16)13-4-5-17-11(2,3)7-13/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyXCTRPYYRUHTVIM-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds3

About 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid

3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 61202209) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID61202209
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C11H20N2O4/c1-8(6-9(14)15)12-10(16)13-4-5-17-11(2,3)7-13/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyXCTRPYYRUHTVIM-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

(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202221
5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 62964019
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353177
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61202575
1-(2,2-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)ethanone
CID 60841287
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61202204
N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide
CID 43593160
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylmorpholine-4-carboxamide
CID 96532420
4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838552
3-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 55003133

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid (CID 61202209) is 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is XCTRPYYRUHTVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(6-9(14)15)12-10(16)13-4-5-17-11(2,3)7-13/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
3-[(2,2-dimethylmorpholine-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 3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61202209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).