N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide

C9H17N3O3 — CID 76952746

IUPACN-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
SMILESNC(CCNC(=O)C1CCCCO1)=NO
InChIInChI=1S/C9H17N3O3/c10-8(12-14)4-5-11-9(13)7-3-1-2-6-15-7/h7,14H,1-6H2,(H2,10,12)(H,11,13)
InChIKeyKCLCERVQYZKIOJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.19
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide

N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide (PubChem CID 76952746) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
PubChem CID76952746
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
SMILESNC(CCNC(=O)C1CCCCO1)=NO
InChIInChI=1S/C9H17N3O3/c10-8(12-14)4-5-11-9(13)7-3-1-2-6-15-7/h7,14H,1-6H2,(H2,10,12)(H,11,13)
InChIKeyKCLCERVQYZKIOJ-UHFFFAOYSA-N
XLogP-0.19
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
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-sulfanylidenepropyl)oxane-2-carboxamide
CID 62667262
ethyl 3-(oxane-2-carbonylamino)propanoate
CID 62213374
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
CID 62212636
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide
CID 76937461
N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272
N-(3-cyanopropyl)oxane-2-carboxamide
CID 62667376
N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
CID 76934587
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
N-(5-amino-5-hydroxyiminopentyl)cyclopentanecarboxamide
CID 77036807
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
CID 76948274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide (CID 76952746) is N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide is NC(CCNC(=O)C1CCCCO1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide?
The InChIKey is KCLCERVQYZKIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-8(12-14)4-5-11-9(13)7-3-1-2-6-15-7/h7,14H,1-6H2,(H2,10,12)(H,11,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide is sourced from PubChem (CID 76952746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).