2,5-dihydroxy-3-(methylamino)cyclopentan-1-one

C6H11NO3 — CID 174282703

IUPAC2,5-dihydroxy-3-(methylamino)cyclopentan-1-one
SMILESCNC1CC(O)C(=O)C1O
InChIInChI=1S/C6H11NO3/c1-7-3-2-4(8)6(10)5(3)9/h3-5,7-9H,2H2,1H3
InChIKeyRIHZSCPKIMXFPK-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.73
Rot. Bonds1

About 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one

2,5-dihydroxy-3-(methylamino)cyclopentan-1-one (PubChem CID 174282703) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one.

Molecular Properties

Compound Name2,5-dihydroxy-3-(methylamino)cyclopentan-1-one
PubChem CID174282703
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2,5-dihydroxy-3-(methylamino)cyclopentan-1-one
SMILESCNC1CC(O)C(=O)C1O
InChIInChI=1S/C6H11NO3/c1-7-3-2-4(8)6(10)5(3)9/h3-5,7-9H,2H2,1H3
InChIKeyRIHZSCPKIMXFPK-UHFFFAOYSA-N
XLogP-1.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one?
The IUPAC name of 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one (CID 174282703) is 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one.
What is the SMILES notation for 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one?
The canonical SMILES for 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one is CNC1CC(O)C(=O)C1O.
What is the InChIKey of 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one?
The InChIKey is RIHZSCPKIMXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-3-2-4(8)6(10)5(3)9/h3-5,7-9H,2H2,1H3.
What are the key properties of 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one?
2,5-dihydroxy-3-(methylamino)cyclopentan-1-one has a molecular weight of 145.16 g/mol, XLogP of -1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3-(methylamino)cyclopentan-1-one is sourced from PubChem (CID 174282703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).