N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide

C11H21N3O2 — CID 103356318

IUPACN'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESCC1(O)CCN(CC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C11H21N3O2/c1-10(15)4-5-14(7-10)8-11(2-3-11)6-9(12)13-16/h15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyMUSMNZGCKZCYQL-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.36
Rot. Bonds4

About N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 103356318) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID103356318
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESCC1(O)CCN(CC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C11H21N3O2/c1-10(15)4-5-14(7-10)8-11(2-3-11)6-9(12)13-16/h15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyMUSMNZGCKZCYQL-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.36
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

N'-hydroxy-2-[1-[[(2-hydroxy-2-methylbutyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070570
2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070623
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071582
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
CID 79376533
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 79380051
2-[1-[[Ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 79386756
2-[1-[[(2-Hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanimidamide
CID 79387566
N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 81115553
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356307
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356309
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropanimidamide
CID 103356312

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 103356318) is N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide is CC1(O)CCN(CC2(CC(N)=NO)CC2)C1.
What is the InChIKey of N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is MUSMNZGCKZCYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(15)4-5-14(7-10)8-11(2-3-11)6-9(12)13-16/h15-16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 103356318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).