N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide

C9H18N2O5 — CID 68719942

IUPACN-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide
SMILESCC(=O)NCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18N2O5/c1-4(13)10-2-6(14)7-9(16)8(15)5(3-12)11-7/h5-9,11-12,14-16H,2-3H2,1H3,(H,10,13)/t5-,6?,7-,8-,9-/m1/s1
InChIKeyHAFRVSOXSMIRCE-NNRPTJCQSA-N
MW234.25 g/mol
LogP-3.46
Rot. Bonds4

About N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide

N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide (PubChem CID 68719942) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide
PubChem CID68719942
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC NameN-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide
SMILESCC(=O)NCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18N2O5/c1-4(13)10-2-6(14)7-9(16)8(15)5(3-12)11-7/h5-9,11-12,14-16H,2-3H2,1H3,(H,10,13)/t5-,6?,7-,8-,9-/m1/s1
InChIKeyHAFRVSOXSMIRCE-NNRPTJCQSA-N
XLogP-3.46
TPSA122.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.25
LogP ≤ 5-3.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide with MolForge

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Related Compounds

N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 25181193
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol
CID 129322236
(2S,3S,4R,5S)-2-(1,9-dihydroxynonyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 102599928
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
N-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-methylbutanamide
CID 144581192
methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
CID 71226736
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide
CID 90044302
N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide
CID 53432038
N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 22867730
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide?
The IUPAC name of N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide (CID 68719942) is N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide is CC(=O)NCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide?
The InChIKey is HAFRVSOXSMIRCE-NNRPTJCQSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-4(13)10-2-6(14)7-9(16)8(15)5(3-12)11-7/h5-9,11-12,14-16H,2-3H2,1H3,(H,10,13)/t5-,6?,7-,8-,9-/m1/s1.
What are the key properties of N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide?
N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide has a molecular weight of 234.25 g/mol, XLogP of -3.46, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide is sourced from PubChem (CID 68719942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).