4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol

C7H15NO4 — CID 14832150

IUPAC4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol
SMILESCNC1C(O)C(O)C(O)C1CO
InChIInChI=1S/C7H15NO4/c1-8-4-3(2-9)5(10)7(12)6(4)11/h3-12H,2H2,1H3
InChIKeyCWEDQCVBMQUAQV-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.72
Rot. Bonds2

About 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol

4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol (PubChem CID 14832150) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol
PubChem CID14832150
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol
SMILESCNC1C(O)C(O)C(O)C1CO
InChIInChI=1S/C7H15NO4/c1-8-4-3(2-9)5(10)7(12)6(4)11/h3-12H,2H2,1H3
InChIKeyCWEDQCVBMQUAQV-UHFFFAOYSA-N
XLogP-2.72
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol?
The IUPAC name of 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol (CID 14832150) is 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol.
What is the SMILES notation for 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol?
The canonical SMILES for 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol is CNC1C(O)C(O)C(O)C1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol?
The InChIKey is CWEDQCVBMQUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-8-4-3(2-9)5(10)7(12)6(4)11/h3-12H,2H2,1H3.
What are the key properties of 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol?
4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol has a molecular weight of 177.20 g/mol, XLogP of -2.72, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-(methylamino)cyclopentane-1,2,3-triol is sourced from PubChem (CID 14832150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).