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2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid

C15H23N3O4 — CID 139558421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
SMILESCCN(Cc1cnc(C2CC2)n1C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-5-17(14(21)22-15(2,3)4)9-11-8-16-12(10-6-7-10)18(11)13(19)20/h8,10H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyUTBVDIKVVNEEQM-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.04
Rot. Bonds4

About 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid

2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid (PubChem CID 139558421) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
PubChem CID139558421
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
SMILESCCN(Cc1cnc(C2CC2)n1C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-5-17(14(21)22-15(2,3)4)9-11-8-16-12(10-6-7-10)18(11)13(19)20/h8,10H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyUTBVDIKVVNEEQM-UHFFFAOYSA-N
XLogP3.04
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid (CID 139558421) is 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid is CCN(Cc1cnc(C2CC2)n1C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The InChIKey is UTBVDIKVVNEEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-5-17(14(21)22-15(2,3)4)9-11-8-16-12(10-6-7-10)18(11)13(19)20/h8,10H,5-7,9H2,1-4H3,(H,19,20).
What are the key properties of 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid is sourced from PubChem (CID 139558421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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