2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide

C8H17N3O3 — CID 129414353

IUPAC2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide
SMILESCO[C@@H]1CN(C/C(N)=N\O)C[C@H]1OC
InChIInChI=1S/C8H17N3O3/c1-13-6-3-11(4-7(6)14-2)5-8(9)10-12/h6-7,12H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m1/s1
InChIKeyBNNPDCBBQNRRIG-RNFRBKRXSA-N
MW203.24 g/mol
LogP-0.92
Rot. Bonds4

About 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide

2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 129414353) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID129414353
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide
SMILESCO[C@@H]1CN(C/C(N)=N\O)C[C@H]1OC
InChIInChI=1S/C8H17N3O3/c1-13-6-3-11(4-7(6)14-2)5-8(9)10-12/h6-7,12H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m1/s1
InChIKeyBNNPDCBBQNRRIG-RNFRBKRXSA-N
XLogP-0.92
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-(3-ethoxy-4-methoxypyrrolidin-1-yl)-N'-hydroxyethanimidamide
CID 121203940
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 103536736
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 106587060
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 121201414
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide
CID 102958343
N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 129393091
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
2-[(3S)-3-fluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129494574
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
2-[3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N'-hydroxyethanimidamide
CID 121204365
(3S,4S)-1-(2-chloroethyl)-3,4-dimethoxypyrrolidine;hydrochloride
CID 69418658
N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide
CID 103531208

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide (CID 129414353) is 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide is CO[C@@H]1CN(C/C(N)=N\O)C[C@H]1OC.
What is the InChIKey of 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is BNNPDCBBQNRRIG-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-13-6-3-11(4-7(6)14-2)5-8(9)10-12/h6-7,12H,3-5H2,1-2H3,(H2,9,10)/t6-,7-/m1/s1.
What are the key properties of 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide?
2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 203.24 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 129414353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).