N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide

C10H19N3O3 — CID 76981294

IUPACN'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCC(O)C1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-6(2)8(9(11)12-16)10(15)13-4-3-7(14)5-13/h6-8,14,16H,3-5H2,1-2H3,(H2,11,12)
InChIKeyAMHATNKLZVRHCO-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.40
Rot. Bonds3

About N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide

N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide (PubChem CID 76981294) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide
PubChem CID76981294
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCC(O)C1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-6(2)8(9(11)12-16)10(15)13-4-3-7(14)5-13/h6-8,14,16H,3-5H2,1-2H3,(H2,11,12)
InChIKeyAMHATNKLZVRHCO-UHFFFAOYSA-N
XLogP-0.40
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.40
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

2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
CID 55132337
N'-hydroxy-2-(4-hydroxypiperidine-1-carbonyl)-3-methylbutanimidamide
CID 61857155
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 61857226
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 62941218
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
CID 62941770
2-(Aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 62941903
2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
CID 76209178
2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)-N-propan-2-ylbutanamide
CID 76923555
2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylbutanamide
CID 76923557
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 76923603
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 76923647
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylbutanamide
CID 76923692

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide (CID 76981294) is N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide is CC(C)C(C(=O)N1CCC(O)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide?
The InChIKey is AMHATNKLZVRHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-6(2)8(9(11)12-16)10(15)13-4-3-7(14)5-13/h6-8,14,16H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide?
N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide has a molecular weight of 229.28 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)-3-methylbutanimidamide is sourced from PubChem (CID 76981294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).