N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide

C7H17N3O3 — CID 106189728

IUPACN'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide
SMILESCOCC(CO)NC(C)C(N)=NO
InChIInChI=1S/C7H17N3O3/c1-5(7(8)10-12)9-6(3-11)4-13-2/h5-6,9,11-12H,3-4H2,1-2H3,(H2,8,10)
InChIKeyNCOLGAVVEUWLOM-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.28
Rot. Bonds6

About N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide

N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide (PubChem CID 106189728) has the molecular formula C7H17N3O3 and a molecular weight of 191.23 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide
PubChem CID106189728
Molecular FormulaC7H17N3O3
Molecular Weight191.23 g/mol
Exact Mass191.13
IUPAC NameN'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide
SMILESCOCC(CO)NC(C)C(N)=NO
InChIInChI=1S/C7H17N3O3/c1-5(7(8)10-12)9-6(3-11)4-13-2/h5-6,9,11-12H,3-4H2,1-2H3,(H2,8,10)
InChIKeyNCOLGAVVEUWLOM-UHFFFAOYSA-N
XLogP-1.28
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
CID 106187566
N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanimidamide
CID 77032703
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-methylpropanamide
CID 106190418
N-(ethylcarbamoyl)-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanamide
CID 106190668
N'-hydroxy-2-(4-hydroxybutan-2-ylamino)propanimidamide
CID 83176383
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106190666
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106190646
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxyacetamide
CID 76897406
2-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide (CID 106189728) is N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide is COCC(CO)NC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide?
The InChIKey is NCOLGAVVEUWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3/c1-5(7(8)10-12)9-6(3-11)4-13-2/h5-6,9,11-12H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide?
N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide has a molecular weight of 191.23 g/mol, XLogP of -1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide is sourced from PubChem (CID 106189728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).