N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide

C13H25N3O3 — CID 55132762

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
SMILESCC(C)CN(CC/C(N)=N/O)C(=O)C1CCOCC1
InChIInChI=1S/C13H25N3O3/c1-10(2)9-16(6-3-12(14)15-18)13(17)11-4-7-19-8-5-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyMUYNCXHHXHADFI-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.03
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide (PubChem CID 55132762) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
PubChem CID55132762
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
SMILESCC(C)CN(CC/C(N)=N/O)C(=O)C1CCOCC1
InChIInChI=1S/C13H25N3O3/c1-10(2)9-16(6-3-12(14)15-18)13(17)11-4-7-19-8-5-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyMUYNCXHHXHADFI-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.03
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-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81327965
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107182758
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 76917116
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
CID 77013639
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 79163135
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
CID 62906035
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
N-(3-amino-3-hydroxyiminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)acetamide
CID 76917233

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide (CID 55132762) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide is CC(C)CN(CC/C(N)=N/O)C(=O)C1CCOCC1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide?
The InChIKey is MUYNCXHHXHADFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(2)9-16(6-3-12(14)15-18)13(17)11-4-7-19-8-5-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 55132762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).