(3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide

C7H15N3O2 — CID 129414349

IUPAC(3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1C[C@H](OC)[C@H](OC)C1
InChIInChI=1S/C7H15N3O2/c1-11-5-3-10(7(8)9)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H3,8,9)/t5-,6+
InChIKeyCOJYMFHTBBAMDF-OLQVQODUSA-N
MW173.22 g/mol
LogP-0.77
Rot. Bonds2

About (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide

(3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 129414349) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID129414349
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1C[C@H](OC)[C@H](OC)C1
InChIInChI=1S/C7H15N3O2/c1-11-5-3-10(7(8)9)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H3,8,9)/t5-,6+
InChIKeyCOJYMFHTBBAMDF-OLQVQODUSA-N
XLogP-0.77
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboximidamide
CID 117981667
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
CID 103534594
N'-amino-3-methoxypyrrolidine-1-carboximidamide
CID 103534601
3-Methoxypyrrolidine-1-carboximidamide
CID 103534603
3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534605
3,4-dimethoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534606
N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534607
3,4-dimethoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534608
N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534612

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide (CID 129414349) is (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide is [H]/N=C(\N)N1C[C@H](OC)[C@H](OC)C1.
What is the InChIKey of (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is COJYMFHTBBAMDF-OLQVQODUSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-11-5-3-10(7(8)9)4-6(5)12-2/h5-6H,3-4H2,1-2H3,(H3,8,9)/t5-,6+.
What are the key properties of (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide?
(3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 173.22 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 129414349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).