N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide

C7H13N3O3 — CID 76981264

IUPACN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
SMILESNC(CC(=O)N1CCC(O)C1)=NO
InChIInChI=1S/C7H13N3O3/c8-6(9-13)3-7(12)10-2-1-5(11)4-10/h5,11,13H,1-4H2,(H2,8,9)
InChIKeyHNBXCQUVSJAJGK-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.28
Rot. Bonds2

About N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide

N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide (PubChem CID 76981264) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
PubChem CID76981264
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
SMILESNC(CC(=O)N1CCC(O)C1)=NO
InChIInChI=1S/C7H13N3O3/c8-6(9-13)3-7(12)10-2-1-5(11)4-10/h5,11,13H,1-4H2,(H2,8,9)
InChIKeyHNBXCQUVSJAJGK-UHFFFAOYSA-N
XLogP-1.28
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide (CID 76981264) is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide is NC(CC(=O)N1CCC(O)C1)=NO.
What is the InChIKey of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide?
The InChIKey is HNBXCQUVSJAJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-6(9-13)3-7(12)10-2-1-5(11)4-10/h5,11,13H,1-4H2,(H2,8,9).
What are the key properties of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide?
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide has a molecular weight of 187.20 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide is sourced from PubChem (CID 76981264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).