4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid

C12H22N2O5 — CID 55005795

IUPAC4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid
SMILESCOC(=O)C(C)CN(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(11(17)19-4)8-14(3)12(18)13(2)7-5-6-10(15)16/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyGCHHLXGAWZEPAS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.64
Rot. Bonds7

About 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid

4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid (PubChem CID 55005795) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid
PubChem CID55005795
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid
SMILESCOC(=O)C(C)CN(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(11(17)19-4)8-14(3)12(18)13(2)7-5-6-10(15)16/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyGCHHLXGAWZEPAS-UHFFFAOYSA-N
XLogP0.64
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 55006084
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894
2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 62822215
4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
CID 54986328
methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate
CID 55183278
4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid
CID 106917339
19-methoxy-18-methyl-19-oxononadecanoic acid
CID 89462442
methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
CID 60964013
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
3-[ethyl-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853396
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid (CID 55005795) is 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid is COC(=O)C(C)CN(C)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid?
The InChIKey is GCHHLXGAWZEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-9(11(17)19-4)8-14(3)12(18)13(2)7-5-6-10(15)16/h9H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid?
4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 55005795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).