2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid

C10H14O5 — CID 56983167

IUPAC2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid
SMILESO=CC=C[C@H]1[C@H](CC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C10H14O5/c11-3-1-2-6-7(4-10(14)15)9(13)5-8(6)12/h1-3,6-9,12-13H,4-5H2,(H,14,15)/t6-,7-,8-,9+/m0/s1
InChIKeyAZNZYQFJBBPJNK-XSPKLOCKSA-N
MW214.22 g/mol
LogP-0.43
Rot. Bonds4

About 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid

2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid (PubChem CID 56983167) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid
PubChem CID56983167
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid
SMILESO=CC=C[C@H]1[C@H](CC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C10H14O5/c11-3-1-2-6-7(4-10(14)15)9(13)5-8(6)12/h1-3,6-9,12-13H,4-5H2,(H,14,15)/t6-,7-,8-,9+/m0/s1
InChIKeyAZNZYQFJBBPJNK-XSPKLOCKSA-N
XLogP-0.43
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid (CID 56983167) is 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid is O=CC=C[C@H]1[C@H](CC(=O)O)[C@H](O)C[C@@H]1O.
What is the InChIKey of 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid?
The InChIKey is AZNZYQFJBBPJNK-XSPKLOCKSA-N. The full InChI is InChI=1S/C10H14O5/c11-3-1-2-6-7(4-10(14)15)9(13)5-8(6)12/h1-3,6-9,12-13H,4-5H2,(H,14,15)/t6-,7-,8-,9+/m0/s1.
What are the key properties of 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid?
2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid has a molecular weight of 214.22 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxoprop-1-enyl)cyclopentyl]acetic acid is sourced from PubChem (CID 56983167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).