2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid

C12H25N3O3 — CID 62820771

IUPAC2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCNCCCNC(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-5-13-8-7-9-14-11(18)15(6-2)12(3,4)10(16)17/h13H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyVXYCVXHIRWSWLI-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.88
Rot. Bonds8

About 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62820771) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID62820771
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCNCCCNC(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-5-13-8-7-9-14-11(18)15(6-2)12(3,4)10(16)17/h13H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyVXYCVXHIRWSWLI-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethyl-[3-(ethylamino)propylcarbamoyl]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(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid
CID 55123707
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822227
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
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-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821296
2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55123659
3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177839
2-[ethyl-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 80689332
2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114114333
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 114184442

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid (CID 62820771) is 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid is CCNCCCNC(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is VXYCVXHIRWSWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-13-8-7-9-14-11(18)15(6-2)12(3,4)10(16)17/h13H,5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).