(E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid

C10H18N2O4 — CID 142554216

IUPAC(E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid
SMILESNCCCC(=O)NCCO/C=C/CC(=O)O
InChIInChI=1S/C10H18N2O4/c11-5-1-3-9(13)12-6-8-16-7-2-4-10(14)15/h2,7H,1,3-6,8,11H2,(H,12,13)(H,14,15)/b7-2+
InChIKeyARAGIMROFPELJI-FARCUNLSSA-N
MW230.26 g/mol
LogP-0.15
Rot. Bonds9

About (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid

(E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid (PubChem CID 142554216) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid
PubChem CID142554216
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid
SMILESNCCCC(=O)NCCO/C=C/CC(=O)O
InChIInChI=1S/C10H18N2O4/c11-5-1-3-9(13)12-6-8-16-7-2-4-10(14)15/h2,7H,1,3-6,8,11H2,(H,12,13)(H,14,15)/b7-2+
InChIKeyARAGIMROFPELJI-FARCUNLSSA-N
XLogP-0.15
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid?
The IUPAC name of (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid (CID 142554216) is (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid.
What is the SMILES notation for (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid?
The canonical SMILES for (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid is NCCCC(=O)NCCO/C=C/CC(=O)O.
What is the InChIKey of (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid?
The InChIKey is ARAGIMROFPELJI-FARCUNLSSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-5-1-3-9(13)12-6-8-16-7-2-4-10(14)15/h2,7H,1,3-6,8,11H2,(H,12,13)(H,14,15)/b7-2+.
What are the key properties of (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid?
(E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(4-aminobutanoylamino)ethoxy]but-3-enoic acid is sourced from PubChem (CID 142554216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).