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

C7H15N3O2 — CID 129393091

IUPACN'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
SMILESN/C(CN1CC[C@H](CO)C1)=N/O
InChIInChI=1S/C7H15N3O2/c8-7(9-12)4-10-2-1-6(3-10)5-11/h6,11-12H,1-5H2,(H2,8,9)/t6-/m0/s1
InChIKeyQIRCMGHBMQNGAP-LURJTMIESA-N
MW173.22 g/mol
LogP-0.95
Rot. Bonds3

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

N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide (PubChem CID 129393091) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
PubChem CID129393091
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
SMILESN/C(CN1CC[C@H](CO)C1)=N/O
InChIInChI=1S/C7H15N3O2/c8-7(9-12)4-10-2-1-6(3-10)5-11/h6,11-12H,1-5H2,(H2,8,9)/t6-/m0/s1
InChIKeyQIRCMGHBMQNGAP-LURJTMIESA-N
XLogP-0.95
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.95
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-[(3S)-3-fluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129494574
2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 129496379
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129493815
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 106587060
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 121201414
N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanimidamide
CID 103942760
N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide
CID 121202978
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid
CID 112626149
[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
CID 112629055
2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129414353
2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112626151

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide (CID 129393091) is N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide is N/C(CN1CC[C@H](CO)C1)=N/O.
What is the InChIKey of N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide?
The InChIKey is QIRCMGHBMQNGAP-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O2/c8-7(9-12)4-10-2-1-6(3-10)5-11/h6,11-12H,1-5H2,(H2,8,9)/t6-/m0/s1.
What are the key properties of N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide?
N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide has a molecular weight of 173.22 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide is sourced from PubChem (CID 129393091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).