ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate

C9H17N3O6 — CID 141080715

IUPACethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate
SMILESCCOC(=O)N(C(N)=O)C(=O)OC(C)(C)C(N)O
InChIInChI=1S/C9H17N3O6/c1-4-17-7(15)12(6(11)14)8(16)18-9(2,3)5(10)13/h5,13H,4,10H2,1-3H3,(H2,11,14)
InChIKeyQGGHRUUZOVERKJ-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.28
Rot. Bonds3

About ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate

ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate (PubChem CID 141080715) has the molecular formula C9H17N3O6 and a molecular weight of 263.25 g/mol. Its IUPAC name is ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate.

Molecular Properties

Compound Nameethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate
PubChem CID141080715
Molecular FormulaC9H17N3O6
Molecular Weight263.25 g/mol
Exact Mass263.11
IUPAC Nameethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate
SMILESCCOC(=O)N(C(N)=O)C(=O)OC(C)(C)C(N)O
InChIInChI=1S/C9H17N3O6/c1-4-17-7(15)12(6(11)14)8(16)18-9(2,3)5(10)13/h5,13H,4,10H2,1-3H3,(H2,11,14)
InChIKeyQGGHRUUZOVERKJ-UHFFFAOYSA-N
XLogP-0.28
TPSA145.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
ethyl N-(3-amino-3-oxopropanoyl)-N-ethoxycarbonylcarbamate
CID 151456777
ethyl N,N-diaminocarbamate
CID 54365685
ethyl N-bromo-N-carbamoylcarbamate
CID 122363823
ethyl N-acetyl-N-propanoylcarbamate
CID 121227334
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 546410
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
bis[tert-butyl(ethoxycarbonyl)amino] carbonate
CID 87355631
acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate
CID 129050698

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate?
The IUPAC name of ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate (CID 141080715) is ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate.
What is the SMILES notation for ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate?
The canonical SMILES for ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate is CCOC(=O)N(C(N)=O)C(=O)OC(C)(C)C(N)O.
What is the InChIKey of ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate?
The InChIKey is QGGHRUUZOVERKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6/c1-4-17-7(15)12(6(11)14)8(16)18-9(2,3)5(10)13/h5,13H,4,10H2,1-3H3,(H2,11,14).
What are the key properties of ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate?
ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate has a molecular weight of 263.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate is sourced from PubChem (CID 141080715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).