3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid

C11H22N2O3 — CID 82326746

IUPAC3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
SMILESCCCCCCN(CCC(=O)O)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-5-7-13(9-10(12)14)8-6-11(15)16/h2-9H2,1H3,(H2,12,14)(H,15,16)
InChIKeyWRFHQOYCDFQZDD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds10

About 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid

3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid (PubChem CID 82326746) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
PubChem CID82326746
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
SMILESCCCCCCN(CCC(=O)O)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-5-7-13(9-10(12)14)8-6-11(15)16/h2-9H2,1H3,(H2,12,14)(H,15,16)
InChIKeyWRFHQOYCDFQZDD-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
2-[di(pentadecyl)amino]acetic acid
CID 101313622
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
4-(didodecylamino)butanoic acid
CID 101313875
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
CID 82328793
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid (CID 82326746) is 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid is CCCCCCN(CCC(=O)O)CC(N)=O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid?
The InChIKey is WRFHQOYCDFQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-4-5-7-13(9-10(12)14)8-6-11(15)16/h2-9H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid?
3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid is sourced from PubChem (CID 82326746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).