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

C6H13N3O2 — CID 166099595

IUPAC(2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide
SMILESC[C@H]1CN(/C(N)=N/O)CCO1
InChIInChI=1S/C6H13N3O2/c1-5-4-9(2-3-11-5)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1
InChIKeyZXOUSDJKIOOJBF-YFKPBYRVSA-N
MW159.19 g/mol
LogP-0.59
Rot. Bonds

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

(2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide (PubChem CID 166099595) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide
PubChem CID166099595
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide
SMILESC[C@H]1CN(/C(N)=N/O)CCO1
InChIInChI=1S/C6H13N3O2/c1-5-4-9(2-3-11-5)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1
InChIKeyZXOUSDJKIOOJBF-YFKPBYRVSA-N
XLogP-0.59
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-hydroxymorpholine-4-carboximidamide
CID 43833696
2,6-Dimethylmorpholine-4-carboximidamide bromide
CID 45108822
N-Hydroxy-4-morpholinecarboximidamide
CID 5060498
CID 6260591
CID 6260591
2,6-dimethylmorpholine-4-carboximidamide Hydrobromide
CID 2806562
2,6-Dimethylmorpholine-4-carboximidamide
CID 2806563
2-Methylmorpholine-4-carboximidamide
CID 12011845
(2R,6S)-2,6-dimethylmorpholine-4-carboximidamide
CID 57916550
(2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride
CID 66876689
2,6-Dimethyl-4-morpholinecarboximidamide hydrochloride
CID 67513884
N-hydroxy-N'-methylmorpholine-4-carboximidamide
CID 88881460
(2R)-2-methylmorpholine-4-carboximidamide
CID 92642789

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide?
The IUPAC name of (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide (CID 166099595) is (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide is C[C@H]1CN(/C(N)=N/O)CCO1.
What is the InChIKey of (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide?
The InChIKey is ZXOUSDJKIOOJBF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-5-4-9(2-3-11-5)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide?
(2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide has a molecular weight of 159.19 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 166099595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).