2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid

C12H24N2O4 — CID 107473771

IUPAC2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCOCCNC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-12(2,3)7-9(10(15)16)8-14-11(17)13-5-6-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyMCJOXISZILLECP-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.07
Rot. Bonds7

About 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid

2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid (PubChem CID 107473771) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
PubChem CID107473771
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCOCCNC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-12(2,3)7-9(10(15)16)8-14-11(17)13-5-6-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyMCJOXISZILLECP-UHFFFAOYSA-N
XLogP1.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic 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

2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
2-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 106238825
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474753
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764
4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 106330622
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
4,4-dimethyl-2-[[2-(triazol-1-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 107474623
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
CID 65221921
4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid
CID 107475566

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid (CID 107473771) is 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid is COCCNC(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The InChIKey is MCJOXISZILLECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(2,3)7-9(10(15)16)8-14-11(17)13-5-6-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107473771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).