(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid

C14H25NO7 — CID 138497393

IUPAC(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid
SMILESNCCCOCCOCCOCCCOC(=O)/C=C\C(=O)O
InChIInChI=1S/C14H25NO7/c15-5-1-6-19-9-11-21-12-10-20-7-2-8-22-14(18)4-3-13(16)17/h3-4H,1-2,5-12,15H2,(H,16,17)/b4-3-
InChIKeyVJBZWSOJCHFZTF-ARJAWSKDSA-N
MW319.35 g/mol
LogP-0.04
Rot. Bonds15

About (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid

(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid (PubChem CID 138497393) has the molecular formula C14H25NO7 and a molecular weight of 319.35 g/mol. Its IUPAC name is (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid
PubChem CID138497393
Molecular FormulaC14H25NO7
Molecular Weight319.35 g/mol
Exact Mass319.16
IUPAC Name(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid
SMILESNCCCOCCOCCOCCCOC(=O)/C=C\C(=O)O
InChIInChI=1S/C14H25NO7/c15-5-1-6-19-9-11-21-12-10-20-7-2-8-22-14(18)4-3-13(16)17/h3-4H,1-2,5-12,15H2,(H,16,17)/b4-3-
InChIKeyVJBZWSOJCHFZTF-ARJAWSKDSA-N
XLogP-0.04
TPSA117.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic 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

(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid
CID 118402520
4-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 57356593
4-(2-decoxyethoxy)-4-oxobut-2-enoic acid
CID 154239717
(Z)-4-(2-octadecoxyethoxy)-4-oxobut-2-enoic acid
CID 139634873
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
(Z)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 88739197
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
4-(4-hydroxybutoxy)-4-oxobut-2-enoic acid
CID 54424578
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
CID 87627186
(Z)-4-(10-hydroxydecoxy)-4-oxobut-2-enoic acid
CID 175609244
(Z)-4-oxo-4-pent-4-enoxybut-2-enoic acid
CID 141049132

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid (CID 138497393) is (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid is NCCCOCCOCCOCCCOC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid?
The InChIKey is VJBZWSOJCHFZTF-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H25NO7/c15-5-1-6-19-9-11-21-12-10-20-7-2-8-22-14(18)4-3-13(16)17/h3-4H,1-2,5-12,15H2,(H,16,17)/b4-3-.
What are the key properties of (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid?
(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid has a molecular weight of 319.35 g/mol, XLogP of -0.04, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid is sourced from PubChem (CID 138497393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).