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

C15H23N3O4 — CID 139558421

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

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

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Related Compounds

2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
CID 139558374
2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
CID 139558258
tert-butyl 2-cyclopropyl-5-methoxyimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
CID 158601162
tert-butyl 2-cyclopropyl-5-formylimidazole-1-carboxylate
CID 139558422
tert-butyl N-ethyl-N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]carbamate
CID 169041841
tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 69143161
tert-butyl N-ethyl-N-[[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]phenyl]methyl]carbamate
CID 55972361
tert-butyl 5-methoxy-2-(1-oxothian-4-yl)imidazole-1-carboxylate
CID 153438038
6-bromo-2-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]indole-1-carboxylic acid
CID 175331725
tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
CID 47034144
tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
CID 71262900
tert-butyl 2-cyclopropyl-4-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate;N-[(2-cyclopropyl-1H-imidazol-3-ium-5-yl)methyl]ethanamine;methanol;chloride;hydrochloride
CID 158433869

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).