methyl 2-amino-4-(dibutylamino)butanoate

C13H28N2O2 — CID 63028607

IUPACmethyl 2-amino-4-(dibutylamino)butanoate
SMILESCCCCN(CCCC)CCC(N)C(=O)OC
InChIInChI=1S/C13H28N2O2/c1-4-6-9-15(10-7-5-2)11-8-12(14)13(16)17-3/h12H,4-11,14H2,1-3H3
InChIKeyXFNHZOVFLZZHDT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.78
Rot. Bonds10

About methyl 2-amino-4-(dibutylamino)butanoate

methyl 2-amino-4-(dibutylamino)butanoate (PubChem CID 63028607) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is methyl 2-amino-4-(dibutylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(dibutylamino)butanoate
PubChem CID63028607
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Namemethyl 2-amino-4-(dibutylamino)butanoate
SMILESCCCCN(CCCC)CCC(N)C(=O)OC
InChIInChI=1S/C13H28N2O2/c1-4-6-9-15(10-7-5-2)11-8-12(14)13(16)17-3/h12H,4-11,14H2,1-3H3
InChIKeyXFNHZOVFLZZHDT-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-[(3-amino-4-methoxy-4-oxobutyl)-(4-hydroxybutyl)amino]butanoate
CID 59716022
2-amino-4-(dibutylamino)butanamide
CID 63027628
methyl (2S)-2-aminohexanoate
CID 7018840
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl 2-aminoheptadecanoate
CID 140839752
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
methyl 2-aminopentanoate
CID 533890
N,N-dibutylbutan-1-amine;methyl hydrogen carbonate
CID 175024513
methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
CID 63028145
methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate
CID 63956082
methyl 2-amino-4-[di(propan-2-yl)amino]butanoate
CID 12833060

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(dibutylamino)butanoate?
The IUPAC name of methyl 2-amino-4-(dibutylamino)butanoate (CID 63028607) is methyl 2-amino-4-(dibutylamino)butanoate.
What is the SMILES notation for methyl 2-amino-4-(dibutylamino)butanoate?
The canonical SMILES for methyl 2-amino-4-(dibutylamino)butanoate is CCCCN(CCCC)CCC(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-4-(dibutylamino)butanoate?
The InChIKey is XFNHZOVFLZZHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-6-9-15(10-7-5-2)11-8-12(14)13(16)17-3/h12H,4-11,14H2,1-3H3.
What are the key properties of methyl 2-amino-4-(dibutylamino)butanoate?
methyl 2-amino-4-(dibutylamino)butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(dibutylamino)butanoate is sourced from PubChem (CID 63028607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).