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

C14H22N4O3 — CID 107864299

IUPAC3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
SMILESCC1CCC(CNC(=O)NC(Cc2cnc[nH]2)C(=O)O)C1
InChIInChI=1S/C14H22N4O3/c1-9-2-3-10(4-9)6-16-14(21)18-12(13(19)20)5-11-7-15-8-17-11/h7-10,12H,2-6H2,1H3,(H,15,17)(H,19,20)(H2,16,18,21)
InChIKeyULHBILUSZKPRJJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.14
Rot. Bonds6

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

3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid (PubChem CID 107864299) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
PubChem CID107864299
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
SMILESCC1CCC(CNC(=O)NC(Cc2cnc[nH]2)C(=O)O)C1
InChIInChI=1S/C14H22N4O3/c1-9-2-3-10(4-9)6-16-14(21)18-12(13(19)20)5-11-7-15-8-17-11/h7-10,12H,2-6H2,1H3,(H,15,17)(H,19,20)(H2,16,18,21)
InChIKeyULHBILUSZKPRJJ-UHFFFAOYSA-N
XLogP1.14
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid (CID 107864299) is 3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid is CC1CCC(CNC(=O)NC(Cc2cnc[nH]2)C(=O)O)C1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
The InChIKey is ULHBILUSZKPRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-2-3-10(4-9)6-16-14(21)18-12(13(19)20)5-11-7-15-8-17-11/h7-10,12H,2-6H2,1H3,(H,15,17)(H,19,20)(H2,16,18,21).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.14, 6 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-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 107864299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).