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

C14H21N3O4 — CID 139558258

IUPAC2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
SMILESCN(Cc1cnc(C2CC2)n1C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16(4)8-10-7-15-11(9-5-6-9)17(10)12(18)19/h7,9H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyQYVHGZUCFPHKQJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.65
Rot. Bonds3

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

2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid (PubChem CID 139558258) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
PubChem CID139558258
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
SMILESCN(Cc1cnc(C2CC2)n1C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16(4)8-10-7-15-11(9-5-6-9)17(10)12(18)19/h7,9H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyQYVHGZUCFPHKQJ-UHFFFAOYSA-N
XLogP2.65
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
CID 139558421
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
2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
CID 139558374
tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
CID 139574399
tert-butyl 2-cyclopropyl-5-formylimidazole-1-carboxylate
CID 139558422
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)methyl]-N-methylcarbamate
CID 164902732
tert-butyl N-[[3-(1-fluoro-2-oxopropyl)-2-(oxan-4-yl)imidazol-4-yl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methyl]carbamate;ethyl 2-bromo-2-fluoroacetate;methane
CID 159128212
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrimidine-5-carboxylic acid
CID 165463164
tert-butyl N-[(5-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133059742

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid (CID 139558258) is 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid is CN(Cc1cnc(C2CC2)n1C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The InChIKey is QYVHGZUCFPHKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16(4)8-10-7-15-11(9-5-6-9)17(10)12(18)19/h7,9H,5-6,8H2,1-4H3,(H,18,19).
What are the key properties of 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid is sourced from PubChem (CID 139558258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).