2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

C13H21NO3 — CID 74627779

IUPAC2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
SMILESCC/C=C\C[C@H]1/C(=N/OC)CC[C@@H]1CC(=O)O
InChIInChI=1S/C13H21NO3/c1-3-4-5-6-11-10(9-13(15)16)7-8-12(11)14-17-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,15,16)/b5-4-,14-12+/t10-,11-/m1/s1
InChIKeyMJYRGIWGWHKOLA-MZNYGPFDSA-N
MW239.31 g/mol
LogP2.85
Rot. Bonds6

About 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid (PubChem CID 74627779) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
PubChem CID74627779
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
SMILESCC/C=C\C[C@H]1/C(=N/OC)CC[C@@H]1CC(=O)O
InChIInChI=1S/C13H21NO3/c1-3-4-5-6-11-10(9-13(15)16)7-8-12(11)14-17-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,15,16)/b5-4-,14-12+/t10-,11-/m1/s1
InChIKeyMJYRGIWGWHKOLA-MZNYGPFDSA-N
XLogP2.85
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid (CID 74627779) is 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid is CC/C=C\C[C@H]1/C(=N/OC)CC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid?
The InChIKey is MJYRGIWGWHKOLA-MZNYGPFDSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-4-5-6-11-10(9-13(15)16)7-8-12(11)14-17-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,15,16)/b5-4-,14-12+/t10-,11-/m1/s1.
What are the key properties of 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid?
2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid has a molecular weight of 239.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3E)-3-methoxyimino-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid is sourced from PubChem (CID 74627779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).