4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid

C11H22N2O4 — CID 134586696

IUPAC4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid
SMILESNCCCN(CCCC(=O)O)CCCC(=O)O
InChIInChI=1S/C11H22N2O4/c12-6-3-9-13(7-1-4-10(14)15)8-2-5-11(16)17/h1-9,12H2,(H,14,15)(H,16,17)
InChIKeyUTGOAEFCIXATNT-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.37
Rot. Bonds11

About 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid

4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid (PubChem CID 134586696) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid
PubChem CID134586696
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid
SMILESNCCCN(CCCC(=O)O)CCCC(=O)O
InChIInChI=1S/C11H22N2O4/c12-6-3-9-13(7-1-4-10(14)15)8-2-5-11(16)17/h1-9,12H2,(H,14,15)(H,16,17)
InChIKeyUTGOAEFCIXATNT-UHFFFAOYSA-N
XLogP0.37
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Isoputreanine
CID 171763
4,4-Bis(N,N-dibutyric acid)
CID 4072500
(Ethylendiimino)-dibutyric acid
CID 53815926
(2S)-2-amino-4-(4-aminobutylamino)butyric acid
CID 70678731
4-(6-Aminohexylamino)butanoic acid
CID 153791974
4-[2-(2-Aminoethylamino)ethylamino]butanoic acid
CID 175033060
Bis(4-aminobutanoic acid);hydrate
CID 137366982
4-(Butylamino)butanoic acid
CID 12388043
2-Amino-4-[di(propan-2-yl)amino]butanoic acid
CID 12833059
CID 21864380
CID 21864380
N-[3-amino-1-carboxypropyl]-iminodiacetic acid
CID 21922526
4-(1,4,7,10-Tetrazacyclododec-1-yl)butanoic acid
CID 23078917

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid?
The IUPAC name of 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid (CID 134586696) is 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid.
What is the SMILES notation for 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid?
The canonical SMILES for 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid is NCCCN(CCCC(=O)O)CCCC(=O)O.
What is the InChIKey of 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid?
The InChIKey is UTGOAEFCIXATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c12-6-3-9-13(7-1-4-10(14)15)8-2-5-11(16)17/h1-9,12H2,(H,14,15)(H,16,17).
What are the key properties of 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid?
4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.37, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(3-carboxypropyl)amino]butanoic acid is sourced from PubChem (CID 134586696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).