3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid

C15H31NO3 — CID 82328377

IUPAC3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid
SMILESCCCCCCN(CCCOC(C)C)CCC(=O)O
InChIInChI=1S/C15H31NO3/c1-4-5-6-7-10-16(12-9-15(17)18)11-8-13-19-14(2)3/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyNUVOXWVHGIFPOK-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.16
Rot. Bonds13

About 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid

3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid (PubChem CID 82328377) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid
PubChem CID82328377
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid
SMILESCCCCCCN(CCCOC(C)C)CCC(=O)O
InChIInChI=1S/C15H31NO3/c1-4-5-6-7-10-16(12-9-15(17)18)11-8-13-19-14(2)3/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyNUVOXWVHGIFPOK-UHFFFAOYSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
CID 82328087
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[hexyl(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
CID 82328417
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
4-(didodecylamino)butanoic acid
CID 101313875
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-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid?
The IUPAC name of 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid (CID 82328377) is 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid is CCCCCCN(CCCOC(C)C)CCC(=O)O.
What is the InChIKey of 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid?
The InChIKey is NUVOXWVHGIFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-4-5-6-7-10-16(12-9-15(17)18)11-8-13-19-14(2)3/h14H,4-13H2,1-3H3,(H,17,18).
What are the key properties of 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid?
3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid has a molecular weight of 273.42 g/mol, XLogP of 3.16, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid is sourced from PubChem (CID 82328377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).