3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid

C14H22N4O3 — CID 107864268

IUPAC3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(C)C1(C(=O)NC(Cc2cnc[nH]2)C(=O)O)CCNC1
InChIInChI=1S/C14H22N4O3/c1-9(2)14(3-4-15-7-14)13(21)18-11(12(19)20)5-10-6-16-8-17-10/h6,8-9,11,15H,3-5,7H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyNZLJTIMPIOIABF-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.16
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid

3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 107864268) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID107864268
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(C)C1(C(=O)NC(Cc2cnc[nH]2)C(=O)O)CCNC1
InChIInChI=1S/C14H22N4O3/c1-9(2)14(3-4-15-7-14)13(21)18-11(12(19)20)5-10-6-16-8-17-10/h6,8-9,11,15H,3-5,7H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyNZLJTIMPIOIABF-UHFFFAOYSA-N
XLogP0.16
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(1H-imidazol-5-yl)-2-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 103870373
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103870452
(2R)-4-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980494
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345
(2R)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894530
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
3-(1H-imidazol-5-yl)-2-[(4-methyloxan-4-yl)carbamoylamino]propanoic acid
CID 104866659
(2R)-3-(1H-imidazol-5-yl)-2-[(4-methyloxan-4-yl)carbamoylamino]propanoic acid
CID 104895362
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103870459
(2R)-3-(1H-imidazol-5-yl)-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 103870385
(2S)-2-(3-ethylpentan-2-ylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 63844265

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 107864268) is 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is CC(C)C1(C(=O)NC(Cc2cnc[nH]2)C(=O)O)CCNC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is NZLJTIMPIOIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)14(3-4-15-7-14)13(21)18-11(12(19)20)5-10-6-16-8-17-10/h6,8-9,11,15H,3-5,7H2,1-2H3,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 294.36 g/mol, XLogP of 0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107864268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).