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

C8H18N2O2 — CID 54370397

IUPAC4-[3-aminopropyl(methyl)amino]butanoic acid
SMILESCN(CCCN)CCCC(=O)O
InChIInChI=1S/C8H18N2O2/c1-10(7-3-5-9)6-2-4-8(11)12/h2-7,9H2,1H3,(H,11,12)
InChIKeyUSUARTRMPYOKIN-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.13
Rot. Bonds7

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

4-[3-aminopropyl(methyl)amino]butanoic acid (PubChem CID 54370397) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-[3-aminopropyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-aminopropyl(methyl)amino]butanoic acid
PubChem CID54370397
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-[3-aminopropyl(methyl)amino]butanoic acid
SMILESCN(CCCN)CCCC(=O)O
InChIInChI=1S/C8H18N2O2/c1-10(7-3-5-9)6-2-4-8(11)12/h2-7,9H2,1H3,(H,11,12)
InChIKeyUSUARTRMPYOKIN-UHFFFAOYSA-N
XLogP0.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Butyric acid, 4-(diethylamino)-
CID 44844
Isoputreanine
CID 171763
4-(Ethylamino)butanoic acid hydrochloride
CID 71357190
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
4,4-Bis(N,N-dibutyric acid)
CID 4072500
4-(3-Aminopropylamino)pentanoic acid
CID 11030328
4-(Pentylamino)butanoic acid
CID 13292338
3-Carboxypropyl(triethyl)azanium
CID 15278121
4-(Propylamino)butanoic acid
CID 16769183
3-Isobutyl-g-aminobutyric acid
CID 18071581
(Ethylendiimino)-dibutyric acid
CID 53815926

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[3-aminopropyl(methyl)amino]butanoic acid (CID 54370397) is 4-[3-aminopropyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[3-aminopropyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[3-aminopropyl(methyl)amino]butanoic acid is CN(CCCN)CCCC(=O)O.
What is the InChIKey of 4-[3-aminopropyl(methyl)amino]butanoic acid?
The InChIKey is USUARTRMPYOKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-10(7-3-5-9)6-2-4-8(11)12/h2-7,9H2,1H3,(H,11,12).
What are the key properties of 4-[3-aminopropyl(methyl)amino]butanoic acid?
4-[3-aminopropyl(methyl)amino]butanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(methyl)amino]butanoic acid is sourced from PubChem (CID 54370397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).