3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide

C7H13N3O2 — CID 123965943

IUPAC3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
SMILES[H]/N=C(\N)CC(=O)N1CCC(O)C1
InChIInChI=1S/C7H13N3O2/c8-6(9)3-7(12)10-2-1-5(11)4-10/h5,11H,1-4H2,(H3,8,9)
InChIKeyONMJQYSSSDTCRD-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.09
Rot. Bonds2

About 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide

3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide (PubChem CID 123965943) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
PubChem CID123965943
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
SMILES[H]/N=C(\N)CC(=O)N1CCC(O)C1
InChIInChI=1S/C7H13N3O2/c8-6(9)3-7(12)10-2-1-5(11)4-10/h5,11H,1-4H2,(H3,8,9)
InChIKeyONMJQYSSSDTCRD-UHFFFAOYSA-N
XLogP-1.09
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
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

N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 62941218
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
CID 62941770
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 76981264
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
CID 76981284
N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
CID 76981285
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 106670930
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 106670932

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide (CID 123965943) is 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide is [H]/N=C(\N)CC(=O)N1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide?
The InChIKey is ONMJQYSSSDTCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-6(9)3-7(12)10-2-1-5(11)4-10/h5,11H,1-4H2,(H3,8,9).
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide?
3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide has a molecular weight of 171.20 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide is sourced from PubChem (CID 123965943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).