N',3,4-trihydroxypyrrolidine-1-carboximidamide

C5H11N3O3 — CID 106674265

IUPACN',3,4-trihydroxypyrrolidine-1-carboximidamide
SMILESNC(=NO)N1CC(O)C(O)C1
InChIInChI=1S/C5H11N3O3/c6-5(7-11)8-1-3(9)4(10)2-8/h3-4,9-11H,1-2H2,(H2,6,7)
InChIKeyWVDVTDKGKBYRSI-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.27
Rot. Bonds

About N',3,4-trihydroxypyrrolidine-1-carboximidamide

N',3,4-trihydroxypyrrolidine-1-carboximidamide (PubChem CID 106674265) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is N',3,4-trihydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,4-trihydroxypyrrolidine-1-carboximidamide
PubChem CID106674265
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC NameN',3,4-trihydroxypyrrolidine-1-carboximidamide
SMILESNC(=NO)N1CC(O)C(O)C1
InChIInChI=1S/C5H11N3O3/c6-5(7-11)8-1-3(9)4(10)2-8/h3-4,9-11H,1-2H2,(H2,6,7)
InChIKeyWVDVTDKGKBYRSI-UHFFFAOYSA-N
XLogP-2.27
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
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-hydroxy-1-Pyrrolidinecarboximidamide
CID 18435488
N'-amino-3-hydroxypyrrolidine-1-carboximidamide
CID 57590580
1-(Aminomethyl)pyrrolidine-3,4-diol
CID 67191860
N'-amino-3-hydroxypyrrolidine-1-carboximidamide
CID 76612338
3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89374635
(3R)-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 131128484
N',3-dihydroxypyrrolidine-1-carboximidamide
CID 76981334
(3R)-3-hydroxypyrrolidine-1-carboximidamide
CID 86341400
(3S)-3-hydroxypyrrolidine-1-carboximidamide
CID 86341401
N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide
CID 103540013
N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103540014
3-Hydroxy-4-methoxypyrrolidine-1-carboximidamide
CID 121203864

Frequently Asked Questions

What is the IUPAC name of N',3,4-trihydroxypyrrolidine-1-carboximidamide?
The IUPAC name of N',3,4-trihydroxypyrrolidine-1-carboximidamide (CID 106674265) is N',3,4-trihydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N',3,4-trihydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for N',3,4-trihydroxypyrrolidine-1-carboximidamide is NC(=NO)N1CC(O)C(O)C1.
What is the InChIKey of N',3,4-trihydroxypyrrolidine-1-carboximidamide?
The InChIKey is WVDVTDKGKBYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c6-5(7-11)8-1-3(9)4(10)2-8/h3-4,9-11H,1-2H2,(H2,6,7).
What are the key properties of N',3,4-trihydroxypyrrolidine-1-carboximidamide?
N',3,4-trihydroxypyrrolidine-1-carboximidamide has a molecular weight of 161.16 g/mol, XLogP of -2.27, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,4-trihydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 106674265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).