2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid

C12H24N2O4 — CID 55123707

IUPAC2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCCCOC)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-14(12(2,3)10(15)16)11(17)13-8-6-7-9-18-4/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyBZQBGZBTLJVKAB-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds8

About 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid

2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 55123707) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID55123707
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCCCOC)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-14(12(2,3)10(15)16)11(17)13-8-6-7-9-18-4/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyBZQBGZBTLJVKAB-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic 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-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820771
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822227
2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820097
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid
CID 62818599
2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
CID 114618190
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 114167559
2-[ethyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62823516
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
CID 62834257
2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55123852
2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55123659
2-[ethyl-[(2-methoxyphenyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820544

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid (CID 55123707) is 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid is CCN(C(=O)NCCCCOC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is BZQBGZBTLJVKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-14(12(2,3)10(15)16)11(17)13-8-6-7-9-18-4/h5-9H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid?
2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).