tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate

C12H25N3O3 — CID 116850092

IUPACtert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate
SMILESCCC(CC(=O)NN(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25N3O3/c1-7-9(8-10(16)14-15(5)6)13-11(17)18-12(2,3)4/h9H,7-8H2,1-6H3,(H,13,17)(H,14,16)
InChIKeyOKIJPYFSSAIUKJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.27
Rot. Bonds5

About tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate

tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate (PubChem CID 116850092) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate
PubChem CID116850092
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Nametert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate
SMILESCCC(CC(=O)NN(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25N3O3/c1-7-9(8-10(16)14-15(5)6)13-11(17)18-12(2,3)4/h9H,7-8H2,1-6H3,(H,13,17)(H,14,16)
InChIKeyOKIJPYFSSAIUKJ-UHFFFAOYSA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5-oxoheptan-3-yl)carbamate
CID 163397442
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate
CID 62651256
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-2-yl]carbamate
CID 116849888
tert-butyl (6S)-8-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoate
CID 147401008
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(7-hydroxyheptan-3-yl)carbamate
CID 142913941
S-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] ethanethioate
CID 142747746
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 17039381
tert-butyl N-[1-[(3-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-4-yl)amino]-1-oxopentan-3-yl]carbamate
CID 70096773

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate (CID 116850092) is tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate is CCC(CC(=O)NN(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate?
The InChIKey is OKIJPYFSSAIUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-7-9(8-10(16)14-15(5)6)13-11(17)18-12(2,3)4/h9H,7-8H2,1-6H3,(H,13,17)(H,14,16).
What are the key properties of tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate?
tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-3-yl]carbamate is sourced from PubChem (CID 116850092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).