5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid

C15H26N4O4 — CID 103117274

IUPAC5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid
SMILESCCC(CC)n1nnc(C(=O)O)c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O4/c1-6-10(7-2)19-11(12(13(20)21)17-18-19)8-9-16-14(22)23-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,22)(H,20,21)
InChIKeyOFXOVHMRLJSTKK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.40
Rot. Bonds7

About 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid

5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid (PubChem CID 103117274) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid
PubChem CID103117274
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid
SMILESCCC(CC)n1nnc(C(=O)O)c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O4/c1-6-10(7-2)19-11(12(13(20)21)17-18-19)8-9-16-14(22)23-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,22)(H,20,21)
InChIKeyOFXOVHMRLJSTKK-UHFFFAOYSA-N
XLogP2.40
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic 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

5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-propan-2-yltriazole-4-carboxylic acid
CID 103117286
5-(2-methoxyethyl)-1-pentan-3-yltriazole-4-carboxylic acid
CID 102646007
1-(3-methylbutyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazole-4-carboxylic acid
CID 103120521
1-(2-ethoxyethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazole-4-carboxylic acid
CID 103120436
tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
CID 67159691
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
1-[1-(butylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053896
methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate
CID 102643761
5-(2-aminoethyl)-1-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxylic acid
CID 103119141
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-(oxan-3-yl)triazole-4-carboxylic acid
CID 107137423
methyl 5-bromo-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylate
CID 147324568
1-[1-(methylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 55030098

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid (CID 103117274) is 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid is CCC(CC)n1nnc(C(=O)O)c1CCNC(=O)OC(C)(C)C.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid?
The InChIKey is OFXOVHMRLJSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-6-10(7-2)19-11(12(13(20)21)17-18-19)8-9-16-14(22)23-15(3,4)5/h10H,6-9H2,1-5H3,(H,16,22)(H,20,21).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid?
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid is sourced from PubChem (CID 103117274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).