(7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid

C16H18O5 — CID 163718066

IUPAC(7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid
SMILESO=C(O)C(CCCC(=O)[C@@H](O)c1ccccc1)C1CC1=O
InChIInChI=1S/C16H18O5/c17-13(15(19)10-5-2-1-3-6-10)8-4-7-11(16(20)21)12-9-14(12)18/h1-3,5-6,11-12,15,19H,4,7-9H2,(H,20,21)/t11?,12?,15-/m0/s1
InChIKeyKPCCOQMSRFPMME-QOZQQMKHSA-N
MW290.31 g/mol
LogP1.75
Rot. Bonds8

About (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid

(7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid (PubChem CID 163718066) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid.

Molecular Properties

Compound Name(7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid
PubChem CID163718066
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid
SMILESO=C(O)C(CCCC(=O)[C@@H](O)c1ccccc1)C1CC1=O
InChIInChI=1S/C16H18O5/c17-13(15(19)10-5-2-1-3-6-10)8-4-7-11(16(20)21)12-9-14(12)18/h1-3,5-6,11-12,15,19H,4,7-9H2,(H,20,21)/t11?,12?,15-/m0/s1
InChIKeyKPCCOQMSRFPMME-QOZQQMKHSA-N
XLogP1.75
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid?
The IUPAC name of (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid (CID 163718066) is (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid.
What is the SMILES notation for (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid?
The canonical SMILES for (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid is O=C(O)C(CCCC(=O)[C@@H](O)c1ccccc1)C1CC1=O.
What is the InChIKey of (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid?
The InChIKey is KPCCOQMSRFPMME-QOZQQMKHSA-N. The full InChI is InChI=1S/C16H18O5/c17-13(15(19)10-5-2-1-3-6-10)8-4-7-11(16(20)21)12-9-14(12)18/h1-3,5-6,11-12,15,19H,4,7-9H2,(H,20,21)/t11?,12?,15-/m0/s1.
What are the key properties of (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid?
(7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid has a molecular weight of 290.31 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-hydroxy-6-oxo-2-(2-oxocyclopropyl)-7-phenylheptanoic acid is sourced from PubChem (CID 163718066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).