(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide

C6H13N3O2 — CID 97045084

IUPAC(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
SMILESCN1CCO[C@H](/C(N)=N/O)C1
InChIInChI=1S/C6H13N3O2/c1-9-2-3-11-5(4-9)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1
InChIKeyBQADMABGZFUHNK-YFKPBYRVSA-N
MW159.19 g/mol
LogP-0.94
Rot. Bonds1

About (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide

(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide (PubChem CID 97045084) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
PubChem CID97045084
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
SMILESCN1CCO[C@H](/C(N)=N/O)C1
InChIInChI=1S/C6H13N3O2/c1-9-2-3-11-5(4-9)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1
InChIKeyBQADMABGZFUHNK-YFKPBYRVSA-N
XLogP-0.94
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
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

4-(2-cyclopropylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680425
4-methylmorpholine-2-carboximidamide
CID 75481075
N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
CID 79681146
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
CID 82926320
(4-methylmorpholine-2-carbonyl)-λ2-stannane
CID 174736409
4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
CID 79680443
1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide
CID 174939125
4-methylmorpholine-2-carbohydrazide;dihydrochloride
CID 130652478
4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680508
N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide
CID 106725380

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide?
The IUPAC name of (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide (CID 97045084) is (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide.
What is the SMILES notation for (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide?
The canonical SMILES for (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide is CN1CCO[C@H](/C(N)=N/O)C1.
What is the InChIKey of (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide?
The InChIKey is BQADMABGZFUHNK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-9-2-3-11-5(4-9)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide?
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide has a molecular weight of 159.19 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide is sourced from PubChem (CID 97045084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).