N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide

C9H17NO5 — CID 58543418

IUPACN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide
SMILESO=C(CO)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO5/c11-3-6-1-5(8(14)9(6)15)2-10-7(13)4-12/h5-6,8-9,11-12,14-15H,1-4H2,(H,10,13)/t5-,6-,8-,9-/m1/s1
InChIKeyUFWGUKHSMXSSRZ-SQEXRHODSA-N
MW219.24 g/mol
LogP-2.55
Rot. Bonds4

About N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide

N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide (PubChem CID 58543418) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide
PubChem CID58543418
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide
SMILESO=C(CO)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO5/c11-3-6-1-5(8(14)9(6)15)2-10-7(13)4-12/h5-6,8-9,11-12,14-15H,1-4H2,(H,10,13)/t5-,6-,8-,9-/m1/s1
InChIKeyUFWGUKHSMXSSRZ-SQEXRHODSA-N
XLogP-2.55
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-2.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide (CID 58543418) is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide is O=C(CO)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide?
The InChIKey is UFWGUKHSMXSSRZ-SQEXRHODSA-N. The full InChI is InChI=1S/C9H17NO5/c11-3-6-1-5(8(14)9(6)15)2-10-7(13)4-12/h5-6,8-9,11-12,14-15H,1-4H2,(H,10,13)/t5-,6-,8-,9-/m1/s1.
What are the key properties of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide?
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide has a molecular weight of 219.24 g/mol, XLogP of -2.55, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 58543418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).