tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate

C10H19N3O6 — CID 151133145

IUPACtert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate
SMILESCCOC(=O)NN(NC(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O6/c1-6-18-8(15)12-13(11-7(14)17-5)9(16)19-10(2,3)4/h6H2,1-5H3,(H,11,14)(H,12,15)
InChIKeyMUQPBLNYPJQTMS-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.16
Rot. Bonds1

About tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate

tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate (PubChem CID 151133145) has the molecular formula C10H19N3O6 and a molecular weight of 277.28 g/mol. Its IUPAC name is tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate
PubChem CID151133145
Molecular FormulaC10H19N3O6
Molecular Weight277.28 g/mol
Exact Mass277.13
IUPAC Nametert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate
SMILESCCOC(=O)NN(NC(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O6/c1-6-18-8(15)12-13(11-7(14)17-5)9(16)19-10(2,3)4/h6H2,1-5H3,(H,11,14)(H,12,15)
InChIKeyMUQPBLNYPJQTMS-UHFFFAOYSA-N
XLogP1.16
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-aminophenyl)-N-(ethoxycarbonylamino)carbamate
CID 68628570
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-ethoxycarbothioylcarbamate
CID 130015339
1-O-ethyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 171364156
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate
CID 11254332
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
1-O-ethyl 5-O-methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 122217658
methyl (2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]propanoate
CID 87344948

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate?
The IUPAC name of tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate (CID 151133145) is tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate.
What is the SMILES notation for tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate?
The canonical SMILES for tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate is CCOC(=O)NN(NC(=O)OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate?
The InChIKey is MUQPBLNYPJQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O6/c1-6-18-8(15)12-13(11-7(14)17-5)9(16)19-10(2,3)4/h6H2,1-5H3,(H,11,14)(H,12,15).
What are the key properties of tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate?
tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate has a molecular weight of 277.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate is sourced from PubChem (CID 151133145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).