3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid

C11H16N4O3 — CID 61188935

IUPAC3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)NC(=O)N1CCCC1
InChIInChI=1S/C11H16N4O3/c16-10(17)9(5-8-6-12-7-13-8)14-11(18)15-3-1-2-4-15/h6-7,9H,1-5H2,(H,12,13)(H,14,18)(H,16,17)
InChIKeyFERFCHMSXDJKQA-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.21
Rot. Bonds4

About 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid

3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid (PubChem CID 61188935) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
PubChem CID61188935
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)NC(=O)N1CCCC1
InChIInChI=1S/C11H16N4O3/c16-10(17)9(5-8-6-12-7-13-8)14-11(18)15-3-1-2-4-15/h6-7,9H,1-5H2,(H,12,13)(H,14,18)(H,16,17)
InChIKeyFERFCHMSXDJKQA-UHFFFAOYSA-N
XLogP0.21
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(1H-imidazol-5-yl)-2-(piperidine-1-carbonylamino)propanoic acid
CID 61182505
3-(1H-imidazol-5-yl)-2-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 62968160
2-[(3-aminopiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61403850
(2S)-2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61189713
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62944009
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895317
(2R)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895160
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62063812
3-(1H-imidazol-5-yl)-2-(piperidin-1-ylcarbamoylamino)propanoic acid
CID 83020220
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylazepane-1-carbonyl)amino]propanoic acid
CID 104895227
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894982
(2S)-2-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104874838

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid (CID 61188935) is 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid is O=C(O)C(Cc1cnc[nH]1)NC(=O)N1CCCC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The InChIKey is FERFCHMSXDJKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(17)9(5-8-6-12-7-13-8)14-11(18)15-3-1-2-4-15/h6-7,9H,1-5H2,(H,12,13)(H,14,18)(H,16,17).
What are the key properties of 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 61188935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).