methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate

C15H21N3O5 — CID 126841568

IUPACmethyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COCC2CCCO2)nc2n1CCC2
InChIInChI=1S/C15H21N3O5/c1-21-15(20)13-14(16-11-5-2-6-18(11)13)17-12(19)9-22-8-10-4-3-7-23-10/h10H,2-9H2,1H3,(H,17,19)
InChIKeyXPWPQUXBWRWGBP-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.75
Rot. Bonds6

About methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate

methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (PubChem CID 126841568) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
PubChem CID126841568
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Namemethyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COCC2CCCO2)nc2n1CCC2
InChIInChI=1S/C15H21N3O5/c1-21-15(20)13-14(16-11-5-2-6-18(11)13)17-12(19)9-22-8-10-4-3-7-23-10/h10H,2-9H2,1H3,(H,17,19)
InChIKeyXPWPQUXBWRWGBP-UHFFFAOYSA-N
XLogP0.75
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate with MolForge

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Related Compounds

N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126832557
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831946
N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789769
ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
CID 164642629
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 157010923
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941
N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide
CID 156587035
N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126830880
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The IUPAC name of methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (CID 126841568) is methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is COC(=O)c1c(NC(=O)COCC2CCCO2)nc2n1CCC2.
What is the InChIKey of methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The InChIKey is XPWPQUXBWRWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-21-15(20)13-14(16-11-5-2-6-18(11)13)17-12(19)9-22-8-10-4-3-7-23-10/h10H,2-9H2,1H3,(H,17,19).
What are the key properties of methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is sourced from PubChem (CID 126841568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).