2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide

C14H27N3O6 — CID 40781643

IUPAC2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOCC(=O)NC[C@H]1O[C@@H](CC(=O)NCCN(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H27N3O6/c1-17(2)5-4-15-11(18)6-9-13(20)14(21)10(23-9)7-16-12(19)8-22-3/h9-10,13-14,20-21H,4-8H2,1-3H3,(H,15,18)(H,16,19)/t9-,10+,13-,14+/m0/s1
InChIKeyQROOXJSFOYMSBC-GIFSMMMISA-N
MW333.39 g/mol
LogP-2.69
Rot. Bonds9

About 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 40781643) has the molecular formula C14H27N3O6 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID40781643
Molecular FormulaC14H27N3O6
Molecular Weight333.39 g/mol
Exact Mass333.19
IUPAC Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOCC(=O)NC[C@H]1O[C@@H](CC(=O)NCCN(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H27N3O6/c1-17(2)5-4-15-11(18)6-9-13(20)14(21)10(23-9)7-16-12(19)8-22-3/h9-10,13-14,20-21H,4-8H2,1-3H3,(H,15,18)(H,16,19)/t9-,10+,13-,14+/m0/s1
InChIKeyQROOXJSFOYMSBC-GIFSMMMISA-N
XLogP-2.69
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 40781643) is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide is COCC(=O)NC[C@H]1O[C@@H](CC(=O)NCCN(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is QROOXJSFOYMSBC-GIFSMMMISA-N. The full InChI is InChI=1S/C14H27N3O6/c1-17(2)5-4-15-11(18)6-9-13(20)14(21)10(23-9)7-16-12(19)8-22-3/h9-10,13-14,20-21H,4-8H2,1-3H3,(H,15,18)(H,16,19)/t9-,10+,13-,14+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of -2.69, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 40781643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).