2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid

C14H21NO5 — CID 20845293

IUPAC2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
SMILESCC/C=C/CC1/C(=N/OCC(=O)O)CCC1CC(=O)O
InChIInChI=1S/C14H21NO5/c1-2-3-4-5-11-10(8-13(16)17)6-7-12(11)15-20-9-14(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,16,17)(H,18,19)/b4-3+,15-12+
InChIKeyMQQXAMWYRMMMLF-IMEOUHKUSA-N
MW283.32 g/mol
LogP2.30
Rot. Bonds8

About 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid

2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid (PubChem CID 20845293) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
PubChem CID20845293
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
SMILESCC/C=C/CC1/C(=N/OCC(=O)O)CCC1CC(=O)O
InChIInChI=1S/C14H21NO5/c1-2-3-4-5-11-10(8-13(16)17)6-7-12(11)15-20-9-14(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,16,17)(H,18,19)/b4-3+,15-12+
InChIKeyMQQXAMWYRMMMLF-IMEOUHKUSA-N
XLogP2.30
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(+/-)-Jasmonic acid O-methyloxime
CID 74627779
7-[2-(3-Fluorooct-1-enyl)-5-hydroxyiminocyclopentyl]heptanoic acid
CID 3407901
7-[(1R,2R)-2-[(E,3S)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid
CID 11873515
7-[(1R,2R)-2-[(E,3R)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid
CID 11873517
7-[(1R,2R,5E)-2-[(E)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid
CID 16396800
7-[(1R,2R,5Z)-2-[(E,3S)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid
CID 25425194
7-[(1R,2R,5Z)-2-[(E,3R)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid
CID 40563566
7-[(1R,2R,5E)-2-[(E,3S)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid
CID 92225602
7-[(1R,2R,5E)-2-[(E,3R)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid
CID 93234357
7-[(1R,2R)-2-[(E)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid
CID 127254073
(3-Methoxycarbonylmethyl-2-pent-2-enylcyclopentylideneaminooxy)acetic acid, methyl ester
CID 9601388
(3-Carboxymethyl-2-pent-2-enylcyclopentylideneaminooxy)acetic acid
CID 9601390

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid (CID 20845293) is 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid is CC/C=C/CC1/C(=N/OCC(=O)O)CCC1CC(=O)O.
What is the InChIKey of 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid?
The InChIKey is MQQXAMWYRMMMLF-IMEOUHKUSA-N. The full InChI is InChI=1S/C14H21NO5/c1-2-3-4-5-11-10(8-13(16)17)6-7-12(11)15-20-9-14(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,16,17)(H,18,19)/b4-3+,15-12+.
What are the key properties of 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid?
2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid has a molecular weight of 283.32 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-3-(carboxymethoxyimino)-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid is sourced from PubChem (CID 20845293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).