(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide

C12H17N3O2 — CID 51530238

IUPAC(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
SMILESN/C(=N\O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H17N3O2/c13-12(14-16)11-9-15(6-7-17-11)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,13,14)/t11-/m0/s1
InChIKeyWXNVXEDYZMJYOG-NSHDSACASA-N
MW235.29 g/mol
LogP0.63
Rot. Bonds3

About (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide

(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 51530238) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
PubChem CID51530238
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
SMILESN/C(=N\O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H17N3O2/c13-12(14-16)11-9-15(6-7-17-11)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,13,14)/t11-/m0/s1
InChIKeyWXNVXEDYZMJYOG-NSHDSACASA-N
XLogP0.63
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.63
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

N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
CID 79681239
4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 116789560
4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 103046739
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
CID 79670534
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
4-[(3-bromo-4-methoxyphenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680600
4-[(4-bromothiophen-2-yl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680504
N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide
CID 79680423
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide (CID 51530238) is (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide is N/C(=N\O)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is WXNVXEDYZMJYOG-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(14-16)11-9-15(6-7-17-11)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,13,14)/t11-/m0/s1.
What are the key properties of (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide?
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 51530238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).