3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid

C13H20N4O3 — CID 63279588

IUPAC3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1CCCC1NC(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-8-3-2-4-10(8)16-13(20)17-11(12(18)19)5-9-6-14-7-15-9/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,18,19)(H2,16,17,20)
InChIKeyOQGVJKYYOHIPRM-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.89
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid

3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid (PubChem CID 63279588) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
PubChem CID63279588
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1CCCC1NC(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-8-3-2-4-10(8)16-13(20)17-11(12(18)19)5-9-6-14-7-15-9/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,18,19)(H2,16,17,20)
InChIKeyOQGVJKYYOHIPRM-UHFFFAOYSA-N
XLogP0.89
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(1H-imidazol-5-yl)-2-[(2-methoxycyclopentyl)carbamoylamino]propanoic acid
CID 104895161
2-[(2-aminocyclohexyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
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3-(1H-imidazol-5-yl)-2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid
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3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentanecarbonyl)amino]propanoic acid
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2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864278
(2S)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62122922
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895165
2-[[cyclobutyl(methyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104873581
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
2-[(2-cyclobutylacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864176
2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16771913
2-[[cyclopropyl(methyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid (CID 63279588) is 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid is CC1CCCC1NC(=O)NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid?
The InChIKey is OQGVJKYYOHIPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-3-2-4-10(8)16-13(20)17-11(12(18)19)5-9-6-14-7-15-9/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,18,19)(H2,16,17,20).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 63279588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).