4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid

C15H26N2O4 — CID 79377280

IUPAC4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-15(4-2,14(20)21)10-13(19)16-9-5-6-12(18)17-11-7-8-11/h11H,3-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyUVAZVRQBYANOMM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.44
Rot. Bonds10

About 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid

4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 79377280) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID79377280
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-15(4-2,14(20)21)10-13(19)16-9-5-6-12(18)17-11-7-8-11/h11H,3-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyUVAZVRQBYANOMM-UHFFFAOYSA-N
XLogP1.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic 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

4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 43529702
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-2-methylpentanoic acid
CID 79380842
2,2-diethyl-4-oxo-4-(pent-4-ynylamino)butanoic acid
CID 103206484
N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide
CID 115583406
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid (CID 79377280) is 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)NCCCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is UVAZVRQBYANOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-15(4-2,14(20)21)10-13(19)16-9-5-6-12(18)17-11-7-8-11/h11H,3-10H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid?
4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.44, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 79377280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).