N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide

C9H19N3O2 — CID 103942752

IUPACN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCC(CO)C1)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11-14)4-12-3-2-8(5-12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyAQTVNUFVQBODEE-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.32
Rot. Bonds4

About N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide

N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide (PubChem CID 103942752) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
PubChem CID103942752
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCC(CO)C1)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11-14)4-12-3-2-8(5-12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyAQTVNUFVQBODEE-UHFFFAOYSA-N
XLogP-0.32
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.32
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103369889
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103370812
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 113808051
3,3,3-trifluoro-N'-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 113808052
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 61556919
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62941707
(Z)-N'-hydroxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 64599546
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910387
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
N'-hydroxy-2-methyl-3-[methyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76910885
N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide
CID 76911365
N'-hydroxy-3-[2-methylpropyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76917303

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide (CID 103942752) is N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide is CC(CN1CCC(CO)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The InChIKey is AQTVNUFVQBODEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(9(10)11-14)4-12-3-2-8(5-12)6-13/h7-8,13-14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 103942752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).