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

C10H19NO4 — CID 58543404

IUPACN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO4/c1-6(13)11(2)4-7-3-8(5-12)10(15)9(7)14/h7-10,12,14-15H,3-5H2,1-2H3/t7-,8-,9-,10-/m1/s1
InChIKeyKKFFHXYQKHBIDZ-ZYUZMQFOSA-N
MW217.26 g/mol
LogP-1.19
Rot. Bonds3

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

N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide (PubChem CID 58543404) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
PubChem CID58543404
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO4/c1-6(13)11(2)4-7-3-8(5-12)10(15)9(7)14/h7-10,12,14-15H,3-5H2,1-2H3/t7-,8-,9-,10-/m1/s1
InChIKeyKKFFHXYQKHBIDZ-ZYUZMQFOSA-N
XLogP-1.19
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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]-N-methylacetamide?
The IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide (CID 58543404) is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide is CC(=O)N(C)C[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]-N-methylacetamide?
The InChIKey is KKFFHXYQKHBIDZ-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(13)11(2)4-7-3-8(5-12)10(15)9(7)14/h7-10,12,14-15H,3-5H2,1-2H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide has a molecular weight of 217.26 g/mol, XLogP of -1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide is sourced from PubChem (CID 58543404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).