tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate

C9H19N3O4 — CID 88677131

IUPACtert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNCC(C)(C=O)ON
InChIInChI=1S/C9H19N3O4/c1-8(2,3)15-7(14)12-11-5-9(4,6-13)16-10/h6,11H,5,10H2,1-4H3,(H,12,14)
InChIKeyCGYSJYKSJDTIHS-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.14
Rot. Bonds5

About tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate

tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate (PubChem CID 88677131) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate
PubChem CID88677131
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNCC(C)(C=O)ON
InChIInChI=1S/C9H19N3O4/c1-8(2,3)15-7(14)12-11-5-9(4,6-13)16-10/h6,11H,5,10H2,1-4H3,(H,12,14)
InChIKeyCGYSJYKSJDTIHS-UHFFFAOYSA-N
XLogP-0.14
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
tert-butyl N-(prop-2-enylamino)carbamate
CID 11240753
[2-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropan-2-yl] acetate
CID 118210622
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
CID 150569720
tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate
CID 134511015
tert-butyl N-(2,3,3-trimethylbutylamino)carbamate
CID 130506890
tert-butyl N-[[(2S)-1-methoxy-3-oxopropan-2-yl]amino]carbamate
CID 135156035
CID 58186857
CID 58186857
tert-butyl N-(cyclobutylmethylamino)carbamate
CID 58693863
tert-butyl N-(octylamino)carbamate
CID 107237086
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate (CID 88677131) is tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate is CC(C)(C)OC(=O)NNCC(C)(C=O)ON.
What is the InChIKey of tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate?
The InChIKey is CGYSJYKSJDTIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-8(2,3)15-7(14)12-11-5-9(4,6-13)16-10/h6,11H,5,10H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate?
tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate has a molecular weight of 233.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate is sourced from PubChem (CID 88677131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).