3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid

C14H22N4O3 — CID 82321868

IUPAC3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CCC1CCCCC1)c1ncn[nH]1
InChIInChI=1S/C14H22N4O3/c19-12(7-6-11-4-2-1-3-5-11)18(9-8-13(20)21)14-15-10-16-17-14/h10-11H,1-9H2,(H,20,21)(H,15,16,17)
InChIKeyGRWWFRPKOMEOOM-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.97
Rot. Bonds7

About 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid

3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid (PubChem CID 82321868) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid
PubChem CID82321868
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CCC1CCCCC1)c1ncn[nH]1
InChIInChI=1S/C14H22N4O3/c19-12(7-6-11-4-2-1-3-5-11)18(9-8-13(20)21)14-15-10-16-17-14/h10-11H,1-9H2,(H,20,21)(H,15,16,17)
InChIKeyGRWWFRPKOMEOOM-UHFFFAOYSA-N
XLogP1.97
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
3-[(2-fluorobenzoyl)-(1H-1,2,4-triazol-5-yl)amino]propanoic acid
CID 82321614
4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 54884851
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
3-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-3-yl]propanoic acid
CID 106283258
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid
CID 82326113
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid?
The IUPAC name of 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid (CID 82321868) is 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid?
The canonical SMILES for 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid is O=C(O)CCN(C(=O)CCC1CCCCC1)c1ncn[nH]1.
What is the InChIKey of 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid?
The InChIKey is GRWWFRPKOMEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-12(7-6-11-4-2-1-3-5-11)18(9-8-13(20)21)14-15-10-16-17-14/h10-11H,1-9H2,(H,20,21)(H,15,16,17).
What are the key properties of 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid?
3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 82321868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).