3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid

C10H11N3O2 — CID 16793980

IUPAC3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)n1cccc1
InChIInChI=1S/C10H11N3O2/c14-10(15)9(13-3-1-2-4-13)5-8-6-11-7-12-8/h1-4,6-7,9H,5H2,(H,11,12)(H,14,15)
InChIKeyXTGWWGRMXKSWQM-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.08
Rot. Bonds4

About 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid

3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid (PubChem CID 16793980) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid
PubChem CID16793980
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)n1cccc1
InChIInChI=1S/C10H11N3O2/c14-10(15)9(13-3-1-2-4-13)5-8-6-11-7-12-8/h1-4,6-7,9H,5H2,(H,11,12)(H,14,15)
InChIKeyXTGWWGRMXKSWQM-UHFFFAOYSA-N
XLogP1.08
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid
CID 28108941
2-(2,5-Dimethyl-pyrrol-1-yl)-3-(1H-imidazol-4-yl)-propionic acid
CID 3154321
Pyrrolidinohistidine
CID 134159789
(2S)-3-(1H-imidazol-3-ium-5-yl)-2-pyrrolidin-1-ium-1-ylpropanoic acid
CID 137348953
Picolyl-l-histidine
CID 10501792
(2S)-2-amino-3-[1-(1H-imidazol-2-yl)imidazol-4-yl]propanoic acid
CID 57297003
3-(N-pyrrolyl)-propanoyl-l-histidine
CID 164884985
(2S)-2-(2,5-dimethylpyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 819779
copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid
CID 139240341
3-(1h-Imidazol-5-yl)-2-(3-pyrrol-1-yl-propanoylamino)propanoic acid
CID 166611172
2-[(1-tert-butylpyrrole-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 168452745
(2S)-2-[(3S)-3-aminopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
CID 10125199

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid (CID 16793980) is 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid is O=C(O)C(Cc1cnc[nH]1)n1cccc1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid?
The InChIKey is XTGWWGRMXKSWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-10(15)9(13-3-1-2-4-13)5-8-6-11-7-12-8/h1-4,6-7,9H,5H2,(H,11,12)(H,14,15).
What are the key properties of 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid?
3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoic acid is sourced from PubChem (CID 16793980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).