3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide

C10H20N4O3 — CID 77111556

IUPAC3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide
SMILESCN(C)CC1CC(O)CN1C(=O)CC(N)=NO
InChIInChI=1S/C10H20N4O3/c1-13(2)5-7-3-8(15)6-14(7)10(16)4-9(11)12-17/h7-8,15,17H,3-6H2,1-2H3,(H2,11,12)
InChIKeyMWPHEPPHFQAZIX-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.35
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide (PubChem CID 77111556) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide
PubChem CID77111556
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide
SMILESCN(C)CC1CC(O)CN1C(=O)CC(N)=NO
InChIInChI=1S/C10H20N4O3/c1-13(2)5-7-3-8(15)6-14(7)10(16)4-9(11)12-17/h7-8,15,17H,3-6H2,1-2H3,(H2,11,12)
InChIKeyMWPHEPPHFQAZIX-UHFFFAOYSA-N
XLogP-1.35
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide (CID 77111556) is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide is CN(C)CC1CC(O)CN1C(=O)CC(N)=NO.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide?
The InChIKey is MWPHEPPHFQAZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-13(2)5-7-3-8(15)6-14(7)10(16)4-9(11)12-17/h7-8,15,17H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide?
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide has a molecular weight of 244.29 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-3-oxopropanimidamide is sourced from PubChem (CID 77111556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).