methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate

C11H16N2O3 — CID 61293123

IUPACmethyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(N)cn1CC1CCCO1
InChIInChI=1S/C11H16N2O3/c1-15-11(14)10-5-8(12)6-13(10)7-9-3-2-4-16-9/h5-6,9H,2-4,7,12H2,1H3
InChIKeyAVOBIPMLGWSZIU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.04
Rot. Bonds3

About methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate

methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate (PubChem CID 61293123) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
PubChem CID61293123
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(N)cn1CC1CCCO1
InChIInChI=1S/C11H16N2O3/c1-15-11(14)10-5-8(12)6-13(10)7-9-3-2-4-16-9/h5-6,9H,2-4,7,12H2,1H3
InChIKeyAVOBIPMLGWSZIU-UHFFFAOYSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61309823
5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 80501846
methyl 1-oxo-2-(oxolan-2-ylmethyl)isoquinoline-4-carboxylate
CID 177224111
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
4-iodo-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604632
4-acetyl-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604636
methyl 3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175810663
dimethyl 1-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 1073389
dimethyl 4-(4-hydroxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
CID 1073741
4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 55014453
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate (CID 61293123) is methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate is COC(=O)c1cc(N)cn1CC1CCCO1.
What is the InChIKey of methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate?
The InChIKey is AVOBIPMLGWSZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-11(14)10-5-8(12)6-13(10)7-9-3-2-4-16-9/h5-6,9H,2-4,7,12H2,1H3.
What are the key properties of methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate?
methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 61293123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).