1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone

C7H13NO3 — CID 167029061

IUPAC1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone
SMILESCC(=O)[C@@]1(O)CC[C@@H](NO)C1
InChIInChI=1S/C7H13NO3/c1-5(9)7(10)3-2-6(4-7)8-11/h6,8,10-11H,2-4H2,1H3/t6-,7-/m1/s1
InChIKeyJYTZOZWKAWNWIC-RNFRBKRXSA-N
MW159.18 g/mol
LogP-0.16
Rot. Bonds2

About 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone

1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone (PubChem CID 167029061) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone
PubChem CID167029061
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone
SMILESCC(=O)[C@@]1(O)CC[C@@H](NO)C1
InChIInChI=1S/C7H13NO3/c1-5(9)7(10)3-2-6(4-7)8-11/h6,8,10-11H,2-4H2,1H3/t6-,7-/m1/s1
InChIKeyJYTZOZWKAWNWIC-RNFRBKRXSA-N
XLogP-0.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone (CID 167029061) is 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone is CC(=O)[C@@]1(O)CC[C@@H](NO)C1.
What is the InChIKey of 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone?
The InChIKey is JYTZOZWKAWNWIC-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(9)7(10)3-2-6(4-7)8-11/h6,8,10-11H,2-4H2,1H3/t6-,7-/m1/s1.
What are the key properties of 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone?
1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone has a molecular weight of 159.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone is sourced from PubChem (CID 167029061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).