N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide

C9H18N2O4 — CID 75171674

IUPACN-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1C(O)C(O)CN1CCO
InChIInChI=1S/C9H18N2O4/c1-6(13)10-4-7-9(15)8(14)5-11(7)2-3-12/h7-9,12,14-15H,2-5H2,1H3,(H,10,13)
InChIKeyIAEYWUHZALTCFB-UHFFFAOYSA-N
MW218.25 g/mol
LogP-2.48
Rot. Bonds4

About N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide

N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 75171674) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID75171674
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1C(O)C(O)CN1CCO
InChIInChI=1S/C9H18N2O4/c1-6(13)10-4-7-9(15)8(14)5-11(7)2-3-12/h7-9,12,14-15H,2-5H2,1H3,(H,10,13)
InChIKeyIAEYWUHZALTCFB-UHFFFAOYSA-N
XLogP-2.48
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 67409156
N-[(1-butyl-3,4-dihydroxypyrrolidin-2-yl)methyl]butanamide
CID 77285633
N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 68621079
2-(hydroxymethyl)-1-(7-methyloctyl)pyrrolidine-3,4-diol
CID 68619981
N-[[(2R,3R,4S)-1-butyl-3,4-dihydroxypyrrolidin-2-yl]methyl]benzamide
CID 67405820
1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
CID 130143959
(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol
CID 67340954
2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488
N-[[(2S,3R,4S)-3,4-dihydroxy-1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]methyl]benzamide
CID 45255047
N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide
CID 102220499
6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexanoic acid
CID 4517716
(2R,3R,4S,5R)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
CID 132608579

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide (CID 75171674) is N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide is CC(=O)NCC1C(O)C(O)CN1CCO.
What is the InChIKey of N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is IAEYWUHZALTCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(13)10-4-7-9(15)8(14)5-11(7)2-3-12/h7-9,12,14-15H,2-5H2,1H3,(H,10,13).
What are the key properties of N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide?
N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 218.25 g/mol, XLogP of -2.48, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 75171674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).