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

C15H22FN3O4 — CID 139558374

IUPAC2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CCF)Cc1cnc(C2CC2)n1C(=O)O
InChIInChI=1S/C15H22FN3O4/c1-15(2,3)23-14(22)18(7-6-16)9-11-8-17-12(10-4-5-10)19(11)13(20)21/h8,10H,4-7,9H2,1-3H3,(H,20,21)
InChIKeyGHNYUFCQPRQPKM-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.99
Rot. Bonds5

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

2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid (PubChem CID 139558374) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
PubChem CID139558374
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CCF)Cc1cnc(C2CC2)n1C(=O)O
InChIInChI=1S/C15H22FN3O4/c1-15(2,3)23-14(22)18(7-6-16)9-11-8-17-12(10-4-5-10)19(11)13(20)21/h8,10H,4-7,9H2,1-3H3,(H,20,21)
InChIKeyGHNYUFCQPRQPKM-UHFFFAOYSA-N
XLogP2.99
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.99
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
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 N,N-bis(2-fluoroethyl)carbamate
CID 142420542
tert-butyl 2-cyclopropyl-5-formylimidazole-1-carboxylate
CID 139558422
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 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
CID 139574399
5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide
CID 173253748
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
tert-butyl N-[[2-cyclopropyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 122456003

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid (CID 139558374) is 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid is CC(C)(C)OC(=O)N(CCF)Cc1cnc(C2CC2)n1C(=O)O.
What is the InChIKey of 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
The InChIKey is GHNYUFCQPRQPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4/c1-15(2,3)23-14(22)18(7-6-16)9-11-8-17-12(10-4-5-10)19(11)13(20)21/h8,10H,4-7,9H2,1-3H3,(H,20,21).
What are the key properties of 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid?
2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid is sourced from PubChem (CID 139558374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).