N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide

C14H25NO6 — CID 122573712

IUPACN-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@@H]1[C@@H](O)[C@@H]([C@H](O)CO)O[C@H]1CC(C)=O
InChIInChI=1S/C14H25NO6/c1-3-4-5-11(19)15-12-10(6-8(2)17)21-14(13(12)20)9(18)7-16/h9-10,12-14,16,18,20H,3-7H2,1-2H3,(H,15,19)/t9-,10+,12+,13-,14-/m1/s1
InChIKeyLLKUYGCCUKOMSA-JPKGWIMLSA-N
MW303.36 g/mol
LogP-0.88
Rot. Bonds8

About N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide

N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide (PubChem CID 122573712) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide
PubChem CID122573712
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC NameN-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@@H]1[C@@H](O)[C@@H]([C@H](O)CO)O[C@H]1CC(C)=O
InChIInChI=1S/C14H25NO6/c1-3-4-5-11(19)15-12-10(6-8(2)17)21-14(13(12)20)9(18)7-16/h9-10,12-14,16,18,20H,3-7H2,1-2H3,(H,15,19)/t9-,10+,12+,13-,14-/m1/s1
InChIKeyLLKUYGCCUKOMSA-JPKGWIMLSA-N
XLogP-0.88
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide?
The IUPAC name of N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide (CID 122573712) is N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide.
What is the SMILES notation for N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide?
The canonical SMILES for N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide is CCCCC(=O)N[C@@H]1[C@@H](O)[C@@H]([C@H](O)CO)O[C@H]1CC(C)=O.
What is the InChIKey of N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide?
The InChIKey is LLKUYGCCUKOMSA-JPKGWIMLSA-N. The full InChI is InChI=1S/C14H25NO6/c1-3-4-5-11(19)15-12-10(6-8(2)17)21-14(13(12)20)9(18)7-16/h9-10,12-14,16,18,20H,3-7H2,1-2H3,(H,15,19)/t9-,10+,12+,13-,14-/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide?
N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide has a molecular weight of 303.36 g/mol, XLogP of -0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide is sourced from PubChem (CID 122573712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).