4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid

C13H26N2O5 — CID 106004415

IUPAC4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
SMILESCOCCC(NC(=O)NCCCCOC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O5/c1-10(2)20-8-5-4-7-14-13(18)15-11(12(16)17)6-9-19-3/h10-11H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyXPZZSNLJXGAOJY-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.98
Rot. Bonds11

About 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid

4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid (PubChem CID 106004415) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
PubChem CID106004415
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
SMILESCOCCC(NC(=O)NCCCCOC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O5/c1-10(2)20-8-5-4-7-14-13(18)15-11(12(16)17)6-9-19-3/h10-11H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyXPZZSNLJXGAOJY-UHFFFAOYSA-N
XLogP0.98
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic 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

(2S)-4-methyl-2-(4-propan-2-yloxybutylcarbamoylamino)pentanoic acid
CID 106004588
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216
4-amino-4-oxo-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004390
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid
CID 5023520
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
4-methoxy-2-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 62480603
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid (CID 106004415) is 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid is COCCC(NC(=O)NCCCCOC(C)C)C(=O)O.
What is the InChIKey of 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid?
The InChIKey is XPZZSNLJXGAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-10(2)20-8-5-4-7-14-13(18)15-11(12(16)17)6-9-19-3/h10-11H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid?
4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 0.98, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid is sourced from PubChem (CID 106004415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).