3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid

C15H25N3O3 — CID 82323590

IUPAC3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid
SMILESCCCCC(=O)N(CCCn1ccnc1)CC(C)C(=O)O
InChIInChI=1S/C15H25N3O3/c1-3-4-6-14(19)18(11-13(2)15(20)21)9-5-8-17-10-7-16-12-17/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,20,21)
InChIKeyXMNIPHJCMSPULW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.01
Rot. Bonds10

About 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid

3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid (PubChem CID 82323590) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid
PubChem CID82323590
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid
SMILESCCCCC(=O)N(CCCn1ccnc1)CC(C)C(=O)O
InChIInChI=1S/C15H25N3O3/c1-3-4-6-14(19)18(11-13(2)15(20)21)9-5-8-17-10-7-16-12-17/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,20,21)
InChIKeyXMNIPHJCMSPULW-UHFFFAOYSA-N
XLogP2.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-imidazol-1-ylpropyl(3-methylbut-2-enoyl)amino]-2-methylpropanoic acid
CID 82326260
N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
CID 168943789
3-[ethyl(2-imidazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62852980
carbonic acid;1-dodecylimidazole
CID 175596781
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726
N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide
CID 42699338
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323160
acetic acid;1-decylimidazole
CID 175546754
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895

Frequently Asked Questions

What is the IUPAC name of 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid (CID 82323590) is 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid is CCCCC(=O)N(CCCn1ccnc1)CC(C)C(=O)O.
What is the InChIKey of 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid?
The InChIKey is XMNIPHJCMSPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-4-6-14(19)18(11-13(2)15(20)21)9-5-8-17-10-7-16-12-17/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid?
3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.01, 10 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(pentanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).