(2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid

C14H21NO6 — CID 58922292

IUPAC(2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid
SMILESCOC(=O)CC1=C[C@@H](O)C/C1=N/O[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H21NO6/c1-8(2)4-12(14(18)19)21-15-11-7-10(16)5-9(11)6-13(17)20-3/h5,8,10,12,16H,4,6-7H2,1-3H3,(H,18,19)/b15-11-/t10-,12-/m1/s1
InChIKeyGLFJXEDGJAGISU-CMFGSYAISA-N
MW299.32 g/mol
LogP1.11
Rot. Bonds7

About (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid

(2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid (PubChem CID 58922292) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid
PubChem CID58922292
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid
SMILESCOC(=O)CC1=C[C@@H](O)C/C1=N/O[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H21NO6/c1-8(2)4-12(14(18)19)21-15-11-7-10(16)5-9(11)6-13(17)20-3/h5,8,10,12,16H,4,6-7H2,1-3H3,(H,18,19)/b15-11-/t10-,12-/m1/s1
InChIKeyGLFJXEDGJAGISU-CMFGSYAISA-N
XLogP1.11
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid (CID 58922292) is (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid is COC(=O)CC1=C[C@@H](O)C/C1=N/O[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid?
The InChIKey is GLFJXEDGJAGISU-CMFGSYAISA-N. The full InChI is InChI=1S/C14H21NO6/c1-8(2)4-12(14(18)19)21-15-11-7-10(16)5-9(11)6-13(17)20-3/h5,8,10,12,16H,4,6-7H2,1-3H3,(H,18,19)/b15-11-/t10-,12-/m1/s1.
What are the key properties of (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid?
(2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid has a molecular weight of 299.32 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-[(4S)-4-hydroxy-2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid is sourced from PubChem (CID 58922292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).