2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide

C13H18N2O4 — CID 163094034

IUPAC2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
SMILESNC[C@H]1O[C@H](CC(=O)Nc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H18N2O4/c14-7-10-13(18)12(17)9(19-10)6-11(16)15-8-4-2-1-3-5-8/h1-5,9-10,12-13,17-18H,6-7,14H2,(H,15,16)/t9-,10-,12+,13-/m1/s1
InChIKeyBXLKBXGADDPZGR-VCDKRKBESA-N
MW266.30 g/mol
LogP-0.54
Rot. Bonds4

About 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide

2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide (PubChem CID 163094034) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
PubChem CID163094034
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
SMILESNC[C@H]1O[C@H](CC(=O)Nc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H18N2O4/c14-7-10-13(18)12(17)9(19-10)6-11(16)15-8-4-2-1-3-5-8/h1-5,9-10,12-13,17-18H,6-7,14H2,(H,15,16)/t9-,10-,12+,13-/m1/s1
InChIKeyBXLKBXGADDPZGR-VCDKRKBESA-N
XLogP-0.54
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
CID 162797085
N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]acetamide
CID 40777917
3-[4-[[2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl]amino]phenyl]propanoic acid
CID 102015544
2-[(2S,3R,4S,5R)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
CID 40777960
2-cyclopropyl-N-phenylacetamide
CID 60753326
2-[3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 74451304
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162804905
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
3-fluoro-N-phenylpropanamide
CID 70366284
2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 40777845
2-[(3S,6S)-6-[2-[(3S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]butan-2-yloxy]oxan-3-yl]pentan-2-yloxy]-3,4,5-trihydroxyoxan-2-yl]-N-phenylacetamide
CID 67812680
(2-anilino-2-oxoethyl)sulfanium
CID 153278909

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide (CID 163094034) is 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide is NC[C@H]1O[C@H](CC(=O)Nc2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide?
The InChIKey is BXLKBXGADDPZGR-VCDKRKBESA-N. The full InChI is InChI=1S/C13H18N2O4/c14-7-10-13(18)12(17)9(19-10)6-11(16)15-8-4-2-1-3-5-8/h1-5,9-10,12-13,17-18H,6-7,14H2,(H,15,16)/t9-,10-,12+,13-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide?
2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide has a molecular weight of 266.30 g/mol, XLogP of -0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide is sourced from PubChem (CID 163094034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).