2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide

C12H22N2O5 — CID 25390428

IUPAC2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
SMILESCC(=O)NC[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H22N2O5/c1-6(2)14-10(16)4-8-11(17)12(18)9(19-8)5-13-7(3)15/h6,8-9,11-12,17-18H,4-5H2,1-3H3,(H,13,15)(H,14,16)/t8-,9+,11-,12+/m0/s1
InChIKeyGEQSQDXQFFPIII-BSJXLVFVSA-N
MW274.32 g/mol
LogP-1.47
Rot. Bonds5

About 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide

2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide (PubChem CID 25390428) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
PubChem CID25390428
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
SMILESCC(=O)NC[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H22N2O5/c1-6(2)14-10(16)4-8-11(17)12(18)9(19-8)5-13-7(3)15/h6,8-9,11-12,17-18H,4-5H2,1-3H3,(H,13,15)(H,14,16)/t8-,9+,11-,12+/m0/s1
InChIKeyGEQSQDXQFFPIII-BSJXLVFVSA-N
XLogP-1.47
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxooxolan-3-yl]acetamide
CID 230397
(2S,3S,4S,5R)-N-cycloheptyl-5-((cycloheptylamino)methyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
CID 25014793
1-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 40777896
2-[(2S,3aR,5R,6R,6aR)-5-(aminomethyl)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(2-methoxyethyl)acetamide
CID 100662579
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 25390419
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
CID 25390242
2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-prop-2-ynylacetamide
CID 25390316
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 25390346
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 25390395
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide
CID 25390415
N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
CID 25390424
2-[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
CID 26744626

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide (CID 25390428) is 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide is CC(=O)NC[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is GEQSQDXQFFPIII-BSJXLVFVSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-6(2)14-10(16)4-8-11(17)12(18)9(19-8)5-13-7(3)15/h6,8-9,11-12,17-18H,4-5H2,1-3H3,(H,13,15)(H,14,16)/t8-,9+,11-,12+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide?
2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 274.32 g/mol, XLogP of -1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25390428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).