2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide

C12H23NO6 — CID 11616084

IUPAC2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide
SMILESCO[C@H]1O[C@H](CNC(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO6/c1-12(2,3)11(17)13-5-6-7(14)8(15)9(16)10(18-4)19-6/h6-10,14-16H,5H2,1-4H3,(H,13,17)/t6-,7-,8+,9+,10+/m1/s1
InChIKeyXNEUWCYWSGMFID-ZJDVBMNYSA-N
MW277.32 g/mol
LogP-1.40
Rot. Bonds3

About 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide

2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide (PubChem CID 11616084) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide
PubChem CID11616084
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC Name2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide
SMILESCO[C@H]1O[C@H](CNC(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO6/c1-12(2,3)11(17)13-5-6-7(14)8(15)9(16)10(18-4)19-6/h6-10,14-16H,5H2,1-4H3,(H,13,17)/t6-,7-,8+,9+,10+/m1/s1
InChIKeyXNEUWCYWSGMFID-ZJDVBMNYSA-N
XLogP-1.40
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide with MolForge

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Related Compounds

N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide
CID 11708716
(2R,3R,4R,5R)-5-(aminomethyl)-3,4-dihydroxy-N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 102122427
1-(2-chloroethyl)-1-nitroso-3-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]urea
CID 124921536
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide (CID 11616084) is 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide is CO[C@H]1O[C@H](CNC(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide?
The InChIKey is XNEUWCYWSGMFID-ZJDVBMNYSA-N. The full InChI is InChI=1S/C12H23NO6/c1-12(2,3)11(17)13-5-6-7(14)8(15)9(16)10(18-4)19-6/h6-10,14-16H,5H2,1-4H3,(H,13,17)/t6-,7-,8+,9+,10+/m1/s1.
What are the key properties of 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide?
2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide has a molecular weight of 277.32 g/mol, XLogP of -1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide is sourced from PubChem (CID 11616084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).