N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide

C10H19N3O3 — CID 79763533

IUPACN-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)CCC(N)=NO
InChIInChI=1S/C10H19N3O3/c1-7-8(4-6-16-7)10(14)13(2)5-3-9(11)12-15/h7-8,15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyKFKFXXUILOVRMG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.01
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide (PubChem CID 79763533) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide
PubChem CID79763533
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)CCC(N)=NO
InChIInChI=1S/C10H19N3O3/c1-7-8(4-6-16-7)10(14)13(2)5-3-9(11)12-15/h7-8,15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyKFKFXXUILOVRMG-UHFFFAOYSA-N
XLogP0.01
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.01
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

4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
CID 79750382
N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79762647
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
CID 79758470
2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750680
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide
CID 79763170
methyl 2-methyl-3-[methyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79763237
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750370
N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
CID 79750666
N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750294
N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide
CID 79750899
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide (CID 79763533) is N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide is CC1OCCC1C(=O)N(C)CCC(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide?
The InChIKey is KFKFXXUILOVRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7-8(4-6-16-7)10(14)13(2)5-3-9(11)12-15/h7-8,15H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 79763533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).