2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide

C20H37N3O8 — CID 26744626

IUPAC2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1O[C@H](CNC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H37N3O8/c1-9(2)22-15(24)5-11-17(26)19(28)13(30-11)7-21-8-14-20(29)18(27)12(31-14)6-16(25)23-10(3)4/h9-14,17-21,26-29H,5-8H2,1-4H3,(H,22,24)(H,23,25)/t11-,12-,13+,14+,17-,18-,19+,20+/m0/s1
InChIKeyYMYAMFHFWPHCLS-RDJRKJBWSA-N
MW447.53 g/mol
LogP-2.62
Rot. Bonds10

About 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide

2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide (PubChem CID 26744626) has the molecular formula C20H37N3O8 and a molecular weight of 447.53 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
PubChem CID26744626
Molecular FormulaC20H37N3O8
Molecular Weight447.53 g/mol
Exact Mass447.26
IUPAC Name2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1O[C@H](CNC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H37N3O8/c1-9(2)22-15(24)5-11-17(26)19(28)13(30-11)7-21-8-14-20(29)18(27)12(31-14)6-16(25)23-10(3)4/h9-14,17-21,26-29H,5-8H2,1-4H3,(H,22,24)(H,23,25)/t11-,12-,13+,14+,17-,18-,19+,20+/m0/s1
InChIKeyYMYAMFHFWPHCLS-RDJRKJBWSA-N
XLogP-2.62
TPSA169.61 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 5-2.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide (CID 26744626) is 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@@H]1O[C@H](CNC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is YMYAMFHFWPHCLS-RDJRKJBWSA-N. The full InChI is InChI=1S/C20H37N3O8/c1-9(2)22-15(24)5-11-17(26)19(28)13(30-11)7-21-8-14-20(29)18(27)12(31-14)6-16(25)23-10(3)4/h9-14,17-21,26-29H,5-8H2,1-4H3,(H,22,24)(H,23,25)/t11-,12-,13+,14+,17-,18-,19+,20+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide?
2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 447.53 g/mol, XLogP of -2.62, 10 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 26744626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).