2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid

C13H22N2O5 — CID 167854126

IUPAC2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid
SMILESCC(C)(C)CC(=O)N1CCOCC1C(=O)NCC(=O)O
InChIInChI=1S/C13H22N2O5/c1-13(2,3)6-10(16)15-4-5-20-8-9(15)12(19)14-7-11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyIBXJWERIZWJBHA-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.15
Rot. Bonds4

About 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid

2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid (PubChem CID 167854126) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid
PubChem CID167854126
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid
SMILESCC(C)(C)CC(=O)N1CCOCC1C(=O)NCC(=O)O
InChIInChI=1S/C13H22N2O5/c1-13(2,3)6-10(16)15-4-5-20-8-9(15)12(19)14-7-11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyIBXJWERIZWJBHA-UHFFFAOYSA-N
XLogP-0.15
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097999
N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide
CID 83099413
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
4-[2-(tert-butylamino)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098876
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid (CID 167854126) is 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid is CC(C)(C)CC(=O)N1CCOCC1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid?
The InChIKey is IBXJWERIZWJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2,3)6-10(16)15-4-5-20-8-9(15)12(19)14-7-11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid?
2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,3-dimethylbutanoyl)morpholine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 167854126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).