ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate

C8H14N2O3 — CID 102257932

IUPACethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate
SMILESCCOC(=O)/C(=N/O)C1CCCN1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(11)7(10-12)6-4-3-5-9-6/h6,9,12H,2-5H2,1H3/b10-7+
InChIKeyLWEKULAKSZKDLM-JXMROGBWSA-N
MW186.21 g/mol
LogP0.13
Rot. Bonds3

About ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate

ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate (PubChem CID 102257932) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate
PubChem CID102257932
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate
SMILESCCOC(=O)/C(=N/O)C1CCCN1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(11)7(10-12)6-4-3-5-9-6/h6,9,12H,2-5H2,1H3/b10-7+
InChIKeyLWEKULAKSZKDLM-JXMROGBWSA-N
XLogP0.13
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate
CID 101141601
1-O-ethyl 2-O-[(2S)-pyrrolidine-2-carbonyl] oxalate
CID 139434827
ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 143079598
ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 159339373
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
ethyl 2-(azepane-2-carbonylamino)propanoate
CID 64564630
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 103809125
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119297431
ethyl 4-(azepane-2-carbonyl)piperazine-1-carboxylate
CID 64563459

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate?
The IUPAC name of ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate (CID 102257932) is ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate.
What is the SMILES notation for ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate?
The canonical SMILES for ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate is CCOC(=O)/C(=N/O)C1CCCN1.
What is the InChIKey of ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate?
The InChIKey is LWEKULAKSZKDLM-JXMROGBWSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-8(11)7(10-12)6-4-3-5-9-6/h6,9,12H,2-5H2,1H3/b10-7+.
What are the key properties of ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate?
ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate has a molecular weight of 186.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate is sourced from PubChem (CID 102257932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).