4-[2-(2-aminoethylamino)ethylamino]butanoic acid

C8H19N3O2 — CID 175033060

IUPAC4-[2-(2-aminoethylamino)ethylamino]butanoic acid
SMILESNCCNCCNCCCC(=O)O
InChIInChI=1S/C8H19N3O2/c9-3-5-11-7-6-10-4-1-2-8(12)13/h10-11H,1-7,9H2,(H,12,13)
InChIKeyXQLIVNAEWBMRPF-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.01
Rot. Bonds9

About 4-[2-(2-aminoethylamino)ethylamino]butanoic acid

4-[2-(2-aminoethylamino)ethylamino]butanoic acid (PubChem CID 175033060) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[2-(2-aminoethylamino)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(2-aminoethylamino)ethylamino]butanoic acid
PubChem CID175033060
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name4-[2-(2-aminoethylamino)ethylamino]butanoic acid
SMILESNCCNCCNCCCC(=O)O
InChIInChI=1S/C8H19N3O2/c9-3-5-11-7-6-10-4-1-2-8(12)13/h10-11H,1-7,9H2,(H,12,13)
InChIKeyXQLIVNAEWBMRPF-UHFFFAOYSA-N
XLogP-1.01
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4'-(Ethylenediimino)bis(4-oxobutyric) acid
CID 90288
4-Glycylaminobutyric acid
CID 99281
Isoputreanine
CID 171763
4-(Ethylamino)butanoic acid hydrochloride
CID 71357190
4,4-Bis(N,N-dibutyric acid)
CID 4072500
4-(Pentylamino)butanoic acid
CID 13292338
4-(Propylamino)butanoic acid
CID 16769183
3-Isobutyl-g-aminobutyric acid
CID 18071581
4-(Piperazin-1-YL)butanoic acid
CID 19758953
4-[(2-Amino-2-oxoethyl)amino]-butanoic acid
CID 43377947
(Ethylendiimino)-dibutyric acid
CID 53815926
4-(Cyanoamino)butanoic acid
CID 90995347

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethylamino)ethylamino]butanoic acid?
The IUPAC name of 4-[2-(2-aminoethylamino)ethylamino]butanoic acid (CID 175033060) is 4-[2-(2-aminoethylamino)ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-(2-aminoethylamino)ethylamino]butanoic acid?
The canonical SMILES for 4-[2-(2-aminoethylamino)ethylamino]butanoic acid is NCCNCCNCCCC(=O)O.
What is the InChIKey of 4-[2-(2-aminoethylamino)ethylamino]butanoic acid?
The InChIKey is XQLIVNAEWBMRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c9-3-5-11-7-6-10-4-1-2-8(12)13/h10-11H,1-7,9H2,(H,12,13).
What are the key properties of 4-[2-(2-aminoethylamino)ethylamino]butanoic acid?
4-[2-(2-aminoethylamino)ethylamino]butanoic acid has a molecular weight of 189.26 g/mol, XLogP of -1.01, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethylamino)ethylamino]butanoic acid is sourced from PubChem (CID 175033060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).