N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide

C11H21NO5 — CID 90887662

IUPACN-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide
SMILESCCC(O)C(O)C1OCCC(O)C1NC(C)=O
InChIInChI=1S/C11H21NO5/c1-3-7(14)10(16)11-9(12-6(2)13)8(15)4-5-17-11/h7-11,14-16H,3-5H2,1-2H3,(H,12,13)
InChIKeyJPFCFKAKRKOZAG-UHFFFAOYSA-N
MW247.29 g/mol
LogP-1.23
Rot. Bonds4

About N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide

N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide (PubChem CID 90887662) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide
PubChem CID90887662
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC NameN-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide
SMILESCCC(O)C(O)C1OCCC(O)C1NC(C)=O
InChIInChI=1S/C11H21NO5/c1-3-7(14)10(16)11-9(12-6(2)13)8(15)4-5-17-11/h7-11,14-16H,3-5H2,1-2H3,(H,12,13)
InChIKeyJPFCFKAKRKOZAG-UHFFFAOYSA-N
XLogP-1.23
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane
CID 159610500
N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide
CID 144507621
2-(1-hydroxypropyl)oxolan-3-ol
CID 20736976
N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
CID 156618959
5-acetamido-6-[3-[5-acetamido-2-carboxy-6-(1,2-dihydroxybutyl)-4-hydroxyoxan-2-yl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylic acid
CID 164764589
N-[(4R,5R,6R)-2,4-dihydroxy-2-oxo-6-[(1S,2S)-1,2,3-trihydroxypropyl]-1,2λ5-oxaphosphinan-5-yl]acetamide
CID 23420489
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 58860466

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide (CID 90887662) is N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide is CCC(O)C(O)C1OCCC(O)C1NC(C)=O.
What is the InChIKey of N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide?
The InChIKey is JPFCFKAKRKOZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-7(14)10(16)11-9(12-6(2)13)8(15)4-5-17-11/h7-11,14-16H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide?
N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide has a molecular weight of 247.29 g/mol, XLogP of -1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 90887662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).