4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid

C18H25N5O3 — CID 122028164

IUPAC4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCN(Cc1cn(C)nn1)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H25N5O3/c1-3-23(13-16-12-22(2)21-20-16)18(26)19-15(9-10-17(24)25)11-14-7-5-4-6-8-14/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,19,26)(H,24,25)
InChIKeyGAGCZZRKTSITOI-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.82
Rot. Bonds9

About 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid

4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122028164) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122028164
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCN(Cc1cn(C)nn1)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H25N5O3/c1-3-23(13-16-12-22(2)21-20-16)18(26)19-15(9-10-17(24)25)11-14-7-5-4-6-8-14/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,19,26)(H,24,25)
InChIKeyGAGCZZRKTSITOI-UHFFFAOYSA-N
XLogP1.82
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027679
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016344

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid (CID 122028164) is 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid is CCN(Cc1cn(C)nn1)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is GAGCZZRKTSITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-23(13-16-12-22(2)21-20-16)18(26)19-15(9-10-17(24)25)11-14-7-5-4-6-8-14/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,19,26)(H,24,25).
What are the key properties of 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid?
4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 359.43 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).