N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide

C10H21N3O3 — CID 107940590

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C10H21N3O3/c1-4-5-16-6-8(14)12-9(7(2)3)10(11)13-15/h7,9,15H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyIURUUJARJSYGDD-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.30
Rot. Bonds7

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide (PubChem CID 107940590) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide
PubChem CID107940590
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C10H21N3O3/c1-4-5-16-6-8(14)12-9(7(2)3)10(11)13-15/h7,9,15H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyIURUUJARJSYGDD-UHFFFAOYSA-N
XLogP0.30
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-propan-2-yloxyacetamide
CID 103940490
3-[(2-propoxyacetyl)amino]butanamide
CID 103711750
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpentanamide
CID 77038862
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
CID 77038778
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
CID 114212897
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxyacetamide
CID 76897406
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide
CID 107940494
3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea
CID 79153319
methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
CID 104701957

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide (CID 107940590) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide is CCCOCC(=O)NC(C(N)=NO)C(C)C.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide?
The InChIKey is IURUUJARJSYGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-5-16-6-8(14)12-9(7(2)3)10(11)13-15/h7,9,15H,4-6H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide has a molecular weight of 231.30 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide is sourced from PubChem (CID 107940590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).