4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid

C11H20N2O4 — CID 43473794

IUPAC4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid
SMILESCC1CN(C(=O)CNCCCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-9-8-13(5-6-17-9)10(14)7-12-4-2-3-11(15)16/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeyBFAJPIUQEVYBCA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds6

About 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid

4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid (PubChem CID 43473794) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid
PubChem CID43473794
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid
SMILESCC1CN(C(=O)CNCCCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-9-8-13(5-6-17-9)10(14)7-12-4-2-3-11(15)16/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeyBFAJPIUQEVYBCA-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834906
3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
CID 43466609
4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189226
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94178807
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
CID 122022926
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone
CID 94532818
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid (CID 43473794) is 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid is CC1CN(C(=O)CNCCCC(=O)O)CCO1.
What is the InChIKey of 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid?
The InChIKey is BFAJPIUQEVYBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9-8-13(5-6-17-9)10(14)7-12-4-2-3-11(15)16/h9,12H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid?
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 43473794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).