3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid

C14H29NO3 — CID 82328949

IUPAC3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid
SMILESCCCCOCCCN(CCC(=O)O)CC(C)C
InChIInChI=1S/C14H29NO3/c1-4-5-10-18-11-6-8-15(12-13(2)3)9-7-14(16)17/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyXNMVKAZBUUDSDY-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.63
Rot. Bonds12

About 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid

3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid (PubChem CID 82328949) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid
PubChem CID82328949
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid
SMILESCCCCOCCCN(CCC(=O)O)CC(C)C
InChIInChI=1S/C14H29NO3/c1-4-5-10-18-11-6-8-15(12-13(2)3)9-7-14(16)17/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyXNMVKAZBUUDSDY-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.63
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-ethoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328964
3-[2-carboxyethyl-[3-(8-methylnonoxy)propyl]amino]propanoic acid
CID 18954537
3-[3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl-(2-carboxyethyl)amino]propanoic acid
CID 11309468
3-[3-butoxypropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329308
3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid
CID 82328377
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
CID 82328087
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768

Frequently Asked Questions

What is the IUPAC name of 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid (CID 82328949) is 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid is CCCCOCCCN(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid?
The InChIKey is XNMVKAZBUUDSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-5-10-18-11-6-8-15(12-13(2)3)9-7-14(16)17/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid?
3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid has a molecular weight of 259.39 g/mol, XLogP of 2.63, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 82328949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).