2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid

C14H23N3O4 — CID 175591904

IUPAC2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCCCCc1nccn1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-14(2,3)21-12(18)16-8-6-4-5-7-11-15-9-10-17(11)13(19)20/h9-10H,4-8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHVQGGLCEINZXID-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.65
Rot. Bonds6

About 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid

2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid (PubChem CID 175591904) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid
PubChem CID175591904
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCCCCc1nccn1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-14(2,3)21-12(18)16-8-6-4-5-7-11-15-9-10-17(11)13(19)20/h9-10H,4-8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHVQGGLCEINZXID-UHFFFAOYSA-N
XLogP2.65
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-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

tert-butyl 2-(3-aminopropyl)imidazole-1-carboxylate
CID 57288017
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazole-2-sulfonic acid
CID 164578125
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
tert-butyl N-[(4R)-4-hydroxy-4-(1-methylimidazol-2-yl)butyl]carbamate
CID 131724444
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
CID 115657447
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[2-(hydroxymethyl)-3-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]butyl]carbamate
CID 106507761
tert-butyl N-nonylcarbamate;ethane
CID 168941348

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid?
The IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid (CID 175591904) is 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid.
What is the SMILES notation for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid?
The canonical SMILES for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid is CC(C)(C)OC(=O)NCCCCCc1nccn1C(=O)O.
What is the InChIKey of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid?
The InChIKey is HVQGGLCEINZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2,3)21-12(18)16-8-6-4-5-7-11-15-9-10-17(11)13(19)20/h9-10H,4-8H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid?
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imidazole-1-carboxylic acid is sourced from PubChem (CID 175591904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).