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

C14H21NO5 — CID 89341834

IUPAC(2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid
SMILESCOC(=O)CC1=CCC/C1=N/O[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H21NO5/c1-9(2)7-12(14(17)18)20-15-11-6-4-5-10(11)8-13(16)19-3/h5,9,12H,4,6-8H2,1-3H3,(H,17,18)/b15-11-/t12-/m1/s1
InChIKeyHKJCYULENSKFQM-QJMZJAKPSA-N
MW283.32 g/mol
LogP2.14
Rot. Bonds7

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

(2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid (PubChem CID 89341834) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is (2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid
PubChem CID89341834
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid
SMILESCOC(=O)CC1=CCC/C1=N/O[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H21NO5/c1-9(2)7-12(14(17)18)20-15-11-6-4-5-10(11)8-13(16)19-3/h5,9,12H,4,6-8H2,1-3H3,(H,17,18)/b15-11-/t12-/m1/s1
InChIKeyHKJCYULENSKFQM-QJMZJAKPSA-N
XLogP2.14
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid (CID 89341834) is (2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid is COC(=O)CC1=CCC/C1=N/O[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid?
The InChIKey is HKJCYULENSKFQM-QJMZJAKPSA-N. The full InChI is InChI=1S/C14H21NO5/c1-9(2)7-12(14(17)18)20-15-11-6-4-5-10(11)8-13(16)19-3/h5,9,12H,4,6-8H2,1-3H3,(H,17,18)/b15-11-/t12-/m1/s1.
What are the key properties of (2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid?
(2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid has a molecular weight of 283.32 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-[2-(2-methoxy-2-oxoethyl)cyclopent-2-en-1-ylidene]amino]oxy-4-methylpentanoic acid is sourced from PubChem (CID 89341834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).