4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid

C11H20N4O5 — CID 79071157

IUPAC4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCN1CCOC(CNC(=O)NC(CC(N)=O)C(=O)O)C1
InChIInChI=1S/C11H20N4O5/c1-15-2-3-20-7(6-15)5-13-11(19)14-8(10(17)18)4-9(12)16/h7-8H,2-6H2,1H3,(H2,12,16)(H,17,18)(H2,13,14,19)
InChIKeyWQKAEPJGXHLFOX-UHFFFAOYSA-N
MW288.30 g/mol
LogP-2.06
Rot. Bonds6

About 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid

4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 79071157) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
PubChem CID79071157
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCN1CCOC(CNC(=O)NC(CC(N)=O)C(=O)O)C1
InChIInChI=1S/C11H20N4O5/c1-15-2-3-20-7(6-15)5-13-11(19)14-8(10(17)18)4-9(12)16/h7-8H,2-6H2,1H3,(H2,12,16)(H,17,18)(H2,13,14,19)
InChIKeyWQKAEPJGXHLFOX-UHFFFAOYSA-N
XLogP-2.06
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-4-amino-2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717924
4-amino-4-oxo-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191612
(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 103928142
2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
CID 79071967
4-amino-2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63896582
2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686787
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
(2S)-4-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 106020826
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid (CID 79071157) is 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid is CN1CCOC(CNC(=O)NC(CC(N)=O)C(=O)O)C1.
What is the InChIKey of 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is WQKAEPJGXHLFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-15-2-3-20-7(6-15)5-13-11(19)14-8(10(17)18)4-9(12)16/h7-8H,2-6H2,1H3,(H2,12,16)(H,17,18)(H2,13,14,19).
What are the key properties of 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid?
4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 288.30 g/mol, XLogP of -2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 79071157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).