3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid

C14H25N3O2 — CID 82328294

IUPAC3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
SMILESCCCCCN(CCCn1ccnc1)CCC(=O)O
InChIInChI=1S/C14H25N3O2/c1-2-3-4-8-16(11-6-14(18)19)9-5-10-17-12-7-15-13-17/h7,12-13H,2-6,8-11H2,1H3,(H,18,19)
InChIKeyBRFMJYMYSSFLIV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.24
Rot. Bonds11

About 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid

3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid (PubChem CID 82328294) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
PubChem CID82328294
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
SMILESCCCCCN(CCCn1ccnc1)CCC(=O)O
InChIInChI=1S/C14H25N3O2/c1-2-3-4-8-16(11-6-14(18)19)9-5-10-17-12-7-15-13-17/h7,12-13H,2-6,8-11H2,1H3,(H,18,19)
InChIKeyBRFMJYMYSSFLIV-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
CID 168943789
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
carbonic acid;1-dodecylimidazole
CID 175596781
3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323160
acetic acid;1-decylimidazole
CID 175546754
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
CID 113330780
ethane;3-pentyloctyl 8-[heptyl(3-imidazol-1-ylpropyl)amino]octanoate
CID 178033511
3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323769
1-nonylimidazole;hydrobromide
CID 175434544
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756

Frequently Asked Questions

What is the IUPAC name of 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid?
The IUPAC name of 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid (CID 82328294) is 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid?
The canonical SMILES for 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid is CCCCCN(CCCn1ccnc1)CCC(=O)O.
What is the InChIKey of 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid?
The InChIKey is BRFMJYMYSSFLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-3-4-8-16(11-6-14(18)19)9-5-10-17-12-7-15-13-17/h7,12-13H,2-6,8-11H2,1H3,(H,18,19).
What are the key properties of 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid?
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid is sourced from PubChem (CID 82328294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).