(Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid

C19H23NO4 — CID 59207921

IUPAC(Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CN1C(=O)C[C@@H]1c1ccc2c(c1)CCC2O
InChIInChI=1S/C19H23NO4/c21-17-9-7-13-11-14(6-8-15(13)17)16-12-18(22)20(16)10-4-2-1-3-5-19(23)24/h2,4,6,8,11,16-17,21H,1,3,5,7,9-10,12H2,(H,23,24)/b4-2-/t16-,17?/m1/s1
InChIKeyPRXCMANICDDYIP-AODVCJMUSA-N
MW329.40 g/mol
LogP2.75
Rot. Bonds7

About (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid

(Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid (PubChem CID 59207921) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid
PubChem CID59207921
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CN1C(=O)C[C@@H]1c1ccc2c(c1)CCC2O
InChIInChI=1S/C19H23NO4/c21-17-9-7-13-11-14(6-8-15(13)17)16-12-18(22)20(16)10-4-2-1-3-5-19(23)24/h2,4,6,8,11,16-17,21H,1,3,5,7,9-10,12H2,(H,23,24)/b4-2-/t16-,17?/m1/s1
InChIKeyPRXCMANICDDYIP-AODVCJMUSA-N
XLogP2.75
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid (CID 59207921) is (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid is O=C(O)CCC/C=C\CN1C(=O)C[C@@H]1c1ccc2c(c1)CCC2O.
What is the InChIKey of (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid?
The InChIKey is PRXCMANICDDYIP-AODVCJMUSA-N. The full InChI is InChI=1S/C19H23NO4/c21-17-9-7-13-11-14(6-8-15(13)17)16-12-18(22)20(16)10-4-2-1-3-5-19(23)24/h2,4,6,8,11,16-17,21H,1,3,5,7,9-10,12H2,(H,23,24)/b4-2-/t16-,17?/m1/s1.
What are the key properties of (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid?
(Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]hept-5-enoic acid is sourced from PubChem (CID 59207921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).