3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide

C7H15N3O2 — CID 106669804

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CC(O)C(O)C1
InChIInChI=1S/C7H15N3O2/c8-7(9)1-2-10-3-5(11)6(12)4-10/h5-6,11-12H,1-4H2,(H3,8,9)
InChIKeyMTAINAHMJJTHEL-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.65
Rot. Bonds3

About 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide

3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide (PubChem CID 106669804) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide
PubChem CID106669804
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CC(O)C(O)C1
InChIInChI=1S/C7H15N3O2/c8-7(9)1-2-10-3-5(11)6(12)4-10/h5-6,11-12H,1-4H2,(H3,8,9)
InChIKeyMTAINAHMJJTHEL-UHFFFAOYSA-N
XLogP-1.65
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-[(3,4-Dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 106669815
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62941704
2-(3-Hydroxypyrrolidin-1-yl)ethanimidamide
CID 62943188
4-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943376
3-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943378
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
3-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943570
5-(3-Hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943761
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 76981272
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 76981279
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyethanimidamide
CID 106669730
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
CID 106669731

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide (CID 106669804) is 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide is [H]/N=C(\N)CCN1CC(O)C(O)C1.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide?
The InChIKey is MTAINAHMJJTHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-7(9)1-2-10-3-5(11)6(12)4-10/h5-6,11-12H,1-4H2,(H3,8,9).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide?
3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide has a molecular weight of 173.22 g/mol, XLogP of -1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 106669804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).