ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate

C20H26N4O5 — CID 57277291

IUPACethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCCOC(=O)n1c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2=O)cc2ncccc21
InChIInChI=1S/C20H26N4O5/c1-5-28-19(27)24-13(11-15-16(24)7-6-9-21-15)12-23-10-8-14(17(23)25)22-18(26)29-20(2,3)4/h6-7,9,11,14H,5,8,10,12H2,1-4H3,(H,22,26)/t14-/m0/s1
InChIKeyFUVQWGZUZXVHHG-AWEZNQCLSA-N
MW402.45 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate

ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 57277291) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate
PubChem CID57277291
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Nameethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCCOC(=O)n1c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2=O)cc2ncccc21
InChIInChI=1S/C20H26N4O5/c1-5-28-19(27)24-13(11-15-16(24)7-6-9-21-15)12-23-10-8-14(17(23)25)22-18(26)29-20(2,3)4/h6-7,9,11,14H,5,8,10,12H2,1-4H3,(H,22,26)/t14-/m0/s1
InChIKeyFUVQWGZUZXVHHG-AWEZNQCLSA-N
XLogP2.67
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The IUPAC name of ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate (CID 57277291) is ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The canonical SMILES for ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate is CCOC(=O)n1c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2=O)cc2ncccc21.
What is the InChIKey of ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The InChIKey is FUVQWGZUZXVHHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-5-28-19(27)24-13(11-15-16(24)7-6-9-21-15)12-23-10-8-14(17(23)25)22-18(26)29-20(2,3)4/h6-7,9,11,14H,5,8,10,12H2,1-4H3,(H,22,26)/t14-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate?
ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]pyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 57277291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).