2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide

C12H24N2O5 — CID 58679026

IUPAC2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide
SMILESCOCC1OC(C)C(NC(=O)CN)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C12H24N2O5/c1-7-10(14-9(15)5-13)12(18-4)11(17-3)8(19-7)6-16-2/h7-8,10-12H,5-6,13H2,1-4H3,(H,14,15)/t7?,8?,10?,11-,12+/m0/s1
InChIKeyCKEAMCKDQGQNTP-VZCFGSIUSA-N
MW276.33 g/mol
LogP-1.11
Rot. Bonds6

About 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide

2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide (PubChem CID 58679026) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide
PubChem CID58679026
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide
SMILESCOCC1OC(C)C(NC(=O)CN)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C12H24N2O5/c1-7-10(14-9(15)5-13)12(18-4)11(17-3)8(19-7)6-16-2/h7-8,10-12H,5-6,13H2,1-4H3,(H,14,15)/t7?,8?,10?,11-,12+/m0/s1
InChIKeyCKEAMCKDQGQNTP-VZCFGSIUSA-N
XLogP-1.11
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
[(2R,3R,4R,5R,6R)-5-acetamido-6-acetyloxy-4-methoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 102239937
2-amino-N-[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[[(1R,4R,5S)-4-(hydroxymethyl)-5,6-dimethoxy-3-(methoxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]acetamide
CID 58372995
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
CID 130187739
[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl] acetate
CID 23253170
[(3S,4S,6S)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]methyl acetate
CID 58919166
[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 14447784
[2-[[(2R,3R,4S,5S,6S)-4,5-diacetyloxy-6-methoxy-2-methyloxan-3-yl]amino]-2-oxoethyl] acetate
CID 101085999
4-methoxy-2-[[4-methoxy-3,6-dimethyl-5-(methylamino)oxan-2-yl]methoxy]-6-(methoxymethyl)-N,5-dimethyloxan-3-amine
CID 59956194
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
[4-acetyloxy-5-hydroxy-2-(methoxymethyl)-6-methyloxan-3-yl] acetate
CID 129093778
[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 14337642

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide (CID 58679026) is 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide is COCC1OC(C)C(NC(=O)CN)[C@@H](OC)[C@H]1OC.
What is the InChIKey of 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide?
The InChIKey is CKEAMCKDQGQNTP-VZCFGSIUSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-7-10(14-9(15)5-13)12(18-4)11(17-3)8(19-7)6-16-2/h7-8,10-12H,5-6,13H2,1-4H3,(H,14,15)/t7?,8?,10?,11-,12+/m0/s1.
What are the key properties of 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide?
2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide has a molecular weight of 276.33 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide is sourced from PubChem (CID 58679026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).