N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide

C9H15N3O3 — CID 80596829

IUPACN'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCC(O)C2)CC1
InChIInChI=1S/C9H15N3O3/c10-7(11-15)9(2-3-9)8(14)12-4-1-6(13)5-12/h6,13,15H,1-5H2,(H2,10,11)
InChIKeyZXUUTSUTWZANSN-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.89
Rot. Bonds2

About N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide

N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide (PubChem CID 80596829) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
PubChem CID80596829
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCC(O)C2)CC1
InChIInChI=1S/C9H15N3O3/c10-7(11-15)9(2-3-9)8(14)12-4-1-6(13)5-12/h6,13,15H,1-5H2,(H2,10,11)
InChIKeyZXUUTSUTWZANSN-UHFFFAOYSA-N
XLogP-0.89
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.89
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

1-[3-(diethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopropane-1-carboximidamide
CID 80593720
N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 112747224
N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide
CID 80594303
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
N'-hydroxy-1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 113356031
1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594475
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
CID 80596930
N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 103942925
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725
(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217407
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide (CID 80596829) is N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCC(O)C2)CC1.
What is the InChIKey of N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide?
The InChIKey is ZXUUTSUTWZANSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-7(11-15)9(2-3-9)8(14)12-4-1-6(13)5-12/h6,13,15H,1-5H2,(H2,10,11).
What are the key properties of N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide?
N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide has a molecular weight of 213.24 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 80596829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).