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

C11H17N3O3 — CID 82323160

IUPAC3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
SMILESCC(=O)N(CCCn1ccnc1)CCC(=O)O
InChIInChI=1S/C11H17N3O3/c1-10(15)14(7-3-11(16)17)6-2-5-13-8-4-12-9-13/h4,8-9H,2-3,5-7H2,1H3,(H,16,17)
InChIKeyPGBCMDJFQGQIQI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.60
Rot. Bonds7

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

3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid (PubChem CID 82323160) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
PubChem CID82323160
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
SMILESCC(=O)N(CCCn1ccnc1)CCC(=O)O
InChIInChI=1S/C11H17N3O3/c1-10(15)14(7-3-11(16)17)6-2-5-13-8-4-12-9-13/h4,8-9H,2-3,5-7H2,1H3,(H,16,17)
InChIKeyPGBCMDJFQGQIQI-UHFFFAOYSA-N
XLogP0.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323769
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
acetic acid;1-decylimidazole
CID 175546754
8-imidazol-1-yl-4,4-dimethyloctanoic acid;hydrochloride
CID 12870498
3-[3-imidazol-1-ylpropyl(3-methylbut-2-enoyl)amino]-2-methylpropanoic acid
CID 82326260
3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid
CID 82323590
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726
2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid
CID 43135799

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid?
The IUPAC name of 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid (CID 82323160) is 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid is CC(=O)N(CCCn1ccnc1)CCC(=O)O.
What is the InChIKey of 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid?
The InChIKey is PGBCMDJFQGQIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-10(15)14(7-3-11(16)17)6-2-5-13-8-4-12-9-13/h4,8-9H,2-3,5-7H2,1H3,(H,16,17).
What are the key properties of 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid?
3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid is sourced from PubChem (CID 82323160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).