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

C11H22N4O3 — CID 77111560

IUPAC3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CC(O)CC1CN(C)C)C(N)=NO
InChIInChI=1S/C11H22N4O3/c1-7(10(12)13-18)11(17)15-6-9(16)4-8(15)5-14(2)3/h7-9,16,18H,4-6H2,1-3H3,(H2,12,13)
InChIKeyKMOXQZZUZZEBNO-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.11
Rot. Bonds4

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

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide (PubChem CID 77111560) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
PubChem CID77111560
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CC(O)CC1CN(C)C)C(N)=NO
InChIInChI=1S/C11H22N4O3/c1-7(10(12)13-18)11(17)15-6-9(16)4-8(15)5-14(2)3/h7-9,16,18H,4-6H2,1-3H3,(H2,12,13)
InChIKeyKMOXQZZUZZEBNO-UHFFFAOYSA-N
XLogP-1.11
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.11
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-2-methyl-3-oxopropanimidamide?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide (CID 77111560) is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide is CC(C(=O)N1CC(O)CC1CN(C)C)C(N)=NO.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The InChIKey is KMOXQZZUZZEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-7(10(12)13-18)11(17)15-6-9(16)4-8(15)5-14(2)3/h7-9,16,18H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide has a molecular weight of 258.32 g/mol, XLogP of -1.11, 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-2-methyl-3-oxopropanimidamide is sourced from PubChem (CID 77111560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).