6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate

C32H32N6O8 — CID 161257900

IUPAC6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate
SMILESNC1CC(=O)N(c2ccc3c(n2)CC(=O)CO3)C1.O=C1COc2ccc(N3CC(NC(=O)OCc4ccccc4)CC3=O)nc2C1
InChIInChI=1S/C20H19N3O5.C12H13N3O3/c24-15-9-16-17(27-12-15)6-7-18(22-16)23-10-14(8-19(23)25)21-20(26)28-11-13-4-2-1-3-5-13;13-7-3-12(17)15(5-7)11-2-1-10-9(14-11)4-8(16)6-18-10/h1-7,14H,8-12H2,(H,21,26);1-2,7H,3-6,13H2
InChIKeyVCEBXLYZIPNEDI-UHFFFAOYSA-N
MW628.64 g/mol
LogP1.27
Rot. Bonds5

About 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate

6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate (PubChem CID 161257900) has the molecular formula C32H32N6O8 and a molecular weight of 628.64 g/mol. Its IUPAC name is 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate
PubChem CID161257900
Molecular FormulaC32H32N6O8
Molecular Weight628.64 g/mol
Exact Mass628.23
IUPAC Name6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate
SMILESNC1CC(=O)N(c2ccc3c(n2)CC(=O)CO3)C1.O=C1COc2ccc(N3CC(NC(=O)OCc4ccccc4)CC3=O)nc2C1
InChIInChI=1S/C20H19N3O5.C12H13N3O3/c24-15-9-16-17(27-12-15)6-7-18(22-16)23-10-14(8-19(23)25)21-20(26)28-11-13-4-2-1-3-5-13;13-7-3-12(17)15(5-7)11-2-1-10-9(14-11)4-8(16)6-18-10/h1-7,14H,8-12H2,(H,21,26);1-2,7H,3-6,13H2
InChIKeyVCEBXLYZIPNEDI-UHFFFAOYSA-N
XLogP1.27
TPSA183.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.64
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate with MolForge

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Related Compounds

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CID 161063969
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benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
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CID 10751243

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate (CID 161257900) is 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate is NC1CC(=O)N(c2ccc3c(n2)CC(=O)CO3)C1.O=C1COc2ccc(N3CC(NC(=O)OCc4ccccc4)CC3=O)nc2C1.
What is the InChIKey of 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is VCEBXLYZIPNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5.C12H13N3O3/c24-15-9-16-17(27-12-15)6-7-18(22-16)23-10-14(8-19(23)25)21-20(26)28-11-13-4-2-1-3-5-13;13-7-3-12(17)15(5-7)11-2-1-10-9(14-11)4-8(16)6-18-10/h1-7,14H,8-12H2,(H,21,26);1-2,7H,3-6,13H2.
What are the key properties of 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate?
6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 628.64 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-oxopyrrolidin-1-yl)-4H-pyrano[3,2-b]pyridin-3-one;benzyl N-[5-oxo-1-(3-oxo-4H-pyrano[3,2-b]pyridin-6-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 161257900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).