2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid

C12H22N2O4 — CID 103498729

IUPAC2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCC1CN(C)CCO1
InChIInChI=1S/C12H22N2O4/c1-8(9(2)12(16)17)11(15)13-6-10-7-14(3)4-5-18-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyMOPRWPLLXJBDSH-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.21
Rot. Bonds5

About 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid

2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid (PubChem CID 103498729) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
PubChem CID103498729
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCC1CN(C)CCO1
InChIInChI=1S/C12H22N2O4/c1-8(9(2)12(16)17)11(15)13-6-10-7-14(3)4-5-18-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyMOPRWPLLXJBDSH-UHFFFAOYSA-N
XLogP-0.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79082924
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 103928142
2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686787
2-(3-aminocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 106592975
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613
2-cyclopropyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetic acid
CID 79071967
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
3-[ethyl-[(4-methylmorpholin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 79070954

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid (CID 103498729) is 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)NCC1CN(C)CCO1.
What is the InChIKey of 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid?
The InChIKey is MOPRWPLLXJBDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(9(2)12(16)17)11(15)13-6-10-7-14(3)4-5-18-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid?
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 103498729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).