2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide

C9H18N2O5 — CID 67341832

IUPAC2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCO
InChIInChI=1S/C9H18N2O5/c10-7(14)3-5-8(15)9(16)6(4-13)11(5)1-2-12/h5-6,8-9,12-13,15-16H,1-4H2,(H2,10,14)/t5-,6-,8+,9-/m1/s1
InChIKeyAXHKOEQHNKWCSD-MTSNSDSCSA-N
MW234.25 g/mol
LogP-3.38
Rot. Bonds5

About 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide

2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide (PubChem CID 67341832) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide
PubChem CID67341832
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCO
InChIInChI=1S/C9H18N2O5/c10-7(14)3-5-8(15)9(16)6(4-13)11(5)1-2-12/h5-6,8-9,12-13,15-16H,1-4H2,(H2,10,14)/t5-,6-,8+,9-/m1/s1
InChIKeyAXHKOEQHNKWCSD-MTSNSDSCSA-N
XLogP-3.38
TPSA127.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-3.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide (CID 67341832) is 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide is NC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCO.
What is the InChIKey of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide?
The InChIKey is AXHKOEQHNKWCSD-MTSNSDSCSA-N. The full InChI is InChI=1S/C9H18N2O5/c10-7(14)3-5-8(15)9(16)6(4-13)11(5)1-2-12/h5-6,8-9,12-13,15-16H,1-4H2,(H2,10,14)/t5-,6-,8+,9-/m1/s1.
What are the key properties of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide?
2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide has a molecular weight of 234.25 g/mol, XLogP of -3.38, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-1-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 67341832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).