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

C12H24N4O3 — CID 77111561

IUPAC3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
SMILESCN(C)CC1CC(O)CN1C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C12H24N4O3/c1-12(2,10(13)14-19)11(18)16-7-9(17)5-8(16)6-15(3)4/h8-9,17,19H,5-7H2,1-4H3,(H2,13,14)
InChIKeyZBPXDZRDIVDDRW-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.72
Rot. Bonds4

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

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide (PubChem CID 77111561) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
PubChem CID77111561
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
SMILESCN(C)CC1CC(O)CN1C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C12H24N4O3/c1-12(2,10(13)14-19)11(18)16-7-9(17)5-8(16)6-15(3)4/h8-9,17,19H,5-7H2,1-4H3,(H2,13,14)
InChIKeyZBPXDZRDIVDDRW-UHFFFAOYSA-N
XLogP-0.72
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.72
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'}

Analyze 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 66054462
(2R)-2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 113353519
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 66053575
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropanenitrile
CID 66054659
cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
(2R,4R)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79026709
N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
CID 66052971

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide (CID 77111561) is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide is CN(C)CC1CC(O)CN1C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
The InChIKey is ZBPXDZRDIVDDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-12(2,10(13)14-19)11(18)16-7-9(17)5-8(16)6-15(3)4/h8-9,17,19H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide?
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide has a molecular weight of 272.35 g/mol, XLogP of -0.72, 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-2,2-dimethyl-3-oxopropanimidamide is sourced from PubChem (CID 77111561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).