N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide

C10H19NO5 — CID 44538749

IUPACN-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO5/c1-5(2)10(15)11-3-6-8(13)9(14)7(4-12)16-6/h5-9,12-14H,3-4H2,1-2H3,(H,11,15)/t6-,7-,8-,9-/m1/s1
InChIKeyDUYQYGHZOVTOLU-FNCVBFRFSA-N
MW233.26 g/mol
LogP-1.76
Rot. Bonds4

About N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide

N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide (PubChem CID 44538749) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide
PubChem CID44538749
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO5/c1-5(2)10(15)11-3-6-8(13)9(14)7(4-12)16-6/h5-9,12-14H,3-4H2,1-2H3,(H,11,15)/t6-,7-,8-,9-/m1/s1
InChIKeyDUYQYGHZOVTOLU-FNCVBFRFSA-N
XLogP-1.76
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]acetamide
CID 146048184
N-[[(2R,3S,4S,5R,6R)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-2-methylpropanamide
CID 71503173
2-methyl-N-[15-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecyl]propanamide
CID 177289168
(3S,6R)-N-butyl-3,4,5-trihydroxy-6-[(2-methylpropanoylamino)methyl]oxane-2-carboxamide
CID 71120964
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl 2-methylpropanoate
CID 44538748
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide
CID 118404354
[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methylpropanoylamino)oxan-2-yl] dihydrogen phosphate
CID 101399420

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide (CID 44538749) is N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide?
The InChIKey is DUYQYGHZOVTOLU-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H19NO5/c1-5(2)10(15)11-3-6-8(13)9(14)7(4-12)16-6/h5-9,12-14H,3-4H2,1-2H3,(H,11,15)/t6-,7-,8-,9-/m1/s1.
What are the key properties of N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide?
N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide has a molecular weight of 233.26 g/mol, XLogP of -1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 44538749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).