(3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid

C9H15NO3 — CID 102568719

IUPAC(3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid
SMILESCO/N=C1\CC(C)(C(=O)O)CC1C
InChIInChI=1S/C9H15NO3/c1-6-4-9(2,8(11)12)5-7(6)10-13-3/h6H,4-5H2,1-3H3,(H,11,12)/b10-7+
InChIKeyZDQLHPVCOKDRIT-JXMROGBWSA-N
MW185.22 g/mol
LogP1.51
Rot. Bonds2

About (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid

(3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid (PubChem CID 102568719) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid
PubChem CID102568719
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid
SMILESCO/N=C1\CC(C)(C(=O)O)CC1C
InChIInChI=1S/C9H15NO3/c1-6-4-9(2,8(11)12)5-7(6)10-13-3/h6H,4-5H2,1-3H3,(H,11,12)/b10-7+
InChIKeyZDQLHPVCOKDRIT-JXMROGBWSA-N
XLogP1.51
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

cis-(1R,3Z,4R)-3-(carbamothioylhydrazinylidene)-1,4-dimethylcyclopentane-1-carboxylic acid
CID 99995804
2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid
CID 77013354
(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 102568381
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid
CID 826083
(3S,5S)-3,5-dimethyloxolane-3-carboxylic acid
CID 125452595
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
(2S,3S,4aR,6S,8Z,8aR)-6-hydroxy-8-hydroxyimino-2,3-dimethoxy-2,3-dimethyl-4a,5,7,8a-tetrahydrobenzo[b][1,4]dioxine-6-carboxylic acid
CID 101196954
4-amino-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103790
2,6-diethyl-N-methoxy-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-imine
CID 73446136
1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455

Frequently Asked Questions

What is the IUPAC name of (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid (CID 102568719) is (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid is CO/N=C1\CC(C)(C(=O)O)CC1C.
What is the InChIKey of (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is ZDQLHPVCOKDRIT-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-4-9(2,8(11)12)5-7(6)10-13-3/h6H,4-5H2,1-3H3,(H,11,12)/b10-7+.
What are the key properties of (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid?
(3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methoxyimino-1,4-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 102568719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).