4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid

C12H24N2O5 — CID 114263858

IUPAC4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(CCOCCO)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C12H24N2O5/c1-3-14(4-6-19-7-5-15)12(18)13-9-10(2)8-11(16)17/h10,15H,3-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyBKPIBJFZSKWKIA-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.14
Rot. Bonds10

About 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid

4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 114263858) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid
PubChem CID114263858
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(CCOCCO)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C12H24N2O5/c1-3-14(4-6-19-7-5-15)12(18)13-9-10(2)8-11(16)17/h10,15H,3-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyBKPIBJFZSKWKIA-UHFFFAOYSA-N
XLogP0.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid (CID 114263858) is 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid is CCN(CCOCCO)C(=O)NCC(C)CC(=O)O.
What is the InChIKey of 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is BKPIBJFZSKWKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-3-14(4-6-19-7-5-15)12(18)13-9-10(2)8-11(16)17/h10,15H,3-9H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid?
4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.14, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 114263858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).