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

C13H30N4O2 — CID 175848152

IUPAC4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
SMILESCCCNCCNCCNCCNCCCC(=O)O
InChIInChI=1S/C13H30N4O2/c1-2-5-14-7-9-16-11-12-17-10-8-15-6-3-4-13(18)19/h14-17H,2-12H2,1H3,(H,18,19)
InChIKeyAUMDHFAPCTUCPB-UHFFFAOYSA-N
MW274.41 g/mol
LogP-0.38
Rot. Bonds15

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

4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid (PubChem CID 175848152) has the molecular formula C13H30N4O2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
PubChem CID175848152
Molecular FormulaC13H30N4O2
Molecular Weight274.41 g/mol
Exact Mass274.24
IUPAC Name4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
SMILESCCCNCCNCCNCCNCCCC(=O)O
InChIInChI=1S/C13H30N4O2/c1-2-5-14-7-9-16-11-12-17-10-8-15-6-3-4-13(18)19/h14-17H,2-12H2,1H3,(H,18,19)
InChIKeyAUMDHFAPCTUCPB-UHFFFAOYSA-N
XLogP-0.38
TPSA85.42 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(propylamino)pentanoic acid
CID 103691549
hexanedioic acid;N-propylpropan-1-amine
CID 88686443
4-(3-carboxypropylamino)butanoic acid
CID 4072500
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
N-butylbutan-1-amine;decanedioic acid
CID 159923840
ethane;3-(propylamino)propanoic acid
CID 145416081
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
N-butylbutan-1-amine;octanoic acid
CID 53326963
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid?
The IUPAC name of 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid (CID 175848152) is 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid?
The canonical SMILES for 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid is CCCNCCNCCNCCNCCCC(=O)O.
What is the InChIKey of 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid?
The InChIKey is AUMDHFAPCTUCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O2/c1-2-5-14-7-9-16-11-12-17-10-8-15-6-3-4-13(18)19/h14-17H,2-12H2,1H3,(H,18,19).
What are the key properties of 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid?
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid has a molecular weight of 274.41 g/mol, XLogP of -0.38, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid is sourced from PubChem (CID 175848152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).