N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide

C12H23N3O3 — CID 76996311

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
SMILESCC(CNC(=O)CCC1CCCCO1)C(N)=NO
InChIInChI=1S/C12H23N3O3/c1-9(12(13)15-17)8-14-11(16)6-5-10-4-2-3-7-18-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyMEKQATOENPCFBM-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.83
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide (PubChem CID 76996311) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
PubChem CID76996311
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
SMILESCC(CNC(=O)CCC1CCCCO1)C(N)=NO
InChIInChI=1S/C12H23N3O3/c1-9(12(13)15-17)8-14-11(16)6-5-10-4-2-3-7-18-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyMEKQATOENPCFBM-UHFFFAOYSA-N
XLogP0.83
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.83
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-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
N-(2-amino-3-hydroxybutyl)-3-(oxolan-2-yl)propanamide
CID 65160397
N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide
CID 114315867
methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
CID 63953576
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3-(oxolan-2-yl)propanamide
CID 77057849
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide (CID 76996311) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide is CC(CNC(=O)CCC1CCCCO1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide?
The InChIKey is MEKQATOENPCFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(12(13)15-17)8-14-11(16)6-5-10-4-2-3-7-18-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide has a molecular weight of 257.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 76996311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).