2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide

C9H20N4O3 — CID 155282670

IUPAC2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCC(N)C(=O)NCC(=O)NN
InChIInChI=1S/C9H20N4O3/c1-9(2,3)16-5-6(10)8(15)12-4-7(14)13-11/h6H,4-5,10-11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyKJEDRJXKHNCMGB-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.77
Rot. Bonds5

About 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide

2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 155282670) has the molecular formula C9H20N4O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID155282670
Molecular FormulaC9H20N4O3
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC Name2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCC(N)C(=O)NCC(=O)NN
InChIInChI=1S/C9H20N4O3/c1-9(2,3)16-5-6(10)8(15)12-4-7(14)13-11/h6H,4-5,10-11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyKJEDRJXKHNCMGB-UHFFFAOYSA-N
XLogP-1.77
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,3,3-tetramethylbutyl)propanamide
CID 142423575
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
(2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 154662589
(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 14059342
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 87709759
methyl (2S)-2-[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-methylpentanoate
CID 129404472
2-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxypropanamide
CID 81101223
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 114617067
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43649575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 155282670) is 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)OCC(N)C(=O)NCC(=O)NN.
What is the InChIKey of 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is KJEDRJXKHNCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3/c1-9(2,3)16-5-6(10)8(15)12-4-7(14)13-11/h6H,4-5,10-11H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 232.28 g/mol, XLogP of -1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 155282670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).