N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide

C11H21N3O3 — CID 104979329

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCCCC(NC(=O)C1COC(C)C1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-3-4-9(10(12)14-16)13-11(15)8-5-7(2)17-6-8/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyRATNMCZICGNDPN-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.44
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide

N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide (PubChem CID 104979329) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide
PubChem CID104979329
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCCCC(NC(=O)C1COC(C)C1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-3-4-9(10(12)14-16)13-11(15)8-5-7(2)17-6-8/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyRATNMCZICGNDPN-UHFFFAOYSA-N
XLogP0.44
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.44
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-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 104979359
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide
CID 104979326
N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948332
(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104979110
5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide
CID 114827184
N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide
CID 102677253
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115923946
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824579
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 114823383
(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 104979108

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide (CID 104979329) is N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide is CCCC(NC(=O)C1COC(C)C1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is RATNMCZICGNDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-4-9(10(12)14-16)13-11(15)8-5-7(2)17-6-8/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 104979329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).