N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide

C14H25NO5 — CID 162796869

IUPACN-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
SMILESCOCC1(CNC(=O)C2CCOCC2)CC(O)C(O)C1
InChIInChI=1S/C14H25NO5/c1-19-9-14(6-11(16)12(17)7-14)8-15-13(18)10-2-4-20-5-3-10/h10-12,16-17H,2-9H2,1H3,(H,15,18)
InChIKeyNURYUPXRMNTGJN-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.32
Rot. Bonds5

About N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide

N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide (PubChem CID 162796869) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
PubChem CID162796869
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC NameN-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
SMILESCOCC1(CNC(=O)C2CCOCC2)CC(O)C(O)C1
InChIInChI=1S/C14H25NO5/c1-19-9-14(6-11(16)12(17)7-14)8-15-13(18)10-2-4-20-5-3-10/h10-12,16-17H,2-9H2,1H3,(H,15,18)
InChIKeyNURYUPXRMNTGJN-UHFFFAOYSA-N
XLogP-0.32
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide (CID 162796869) is N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide is COCC1(CNC(=O)C2CCOCC2)CC(O)C(O)C1.
What is the InChIKey of N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The InChIKey is NURYUPXRMNTGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-19-9-14(6-11(16)12(17)7-14)8-15-13(18)10-2-4-20-5-3-10/h10-12,16-17H,2-9H2,1H3,(H,15,18).
What are the key properties of N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 162796869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).