ethyl N-(methylcarbamoylamino)carbamate

C5H11N3O3 — CID 568737

IUPACethyl N-(methylcarbamoylamino)carbamate
SMILESCCOC(=O)NNC(=O)NC
InChIInChI=1S/C5H11N3O3/c1-3-11-5(10)8-7-4(9)6-2/h3H2,1-2H3,(H,8,10)(H2,6,7,9)
InChIKeyMPAVAJIEMAZADI-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.42
Rot. Bonds1

About ethyl N-(methylcarbamoylamino)carbamate

ethyl N-(methylcarbamoylamino)carbamate (PubChem CID 568737) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is ethyl N-(methylcarbamoylamino)carbamate.

Molecular Properties

Compound Nameethyl N-(methylcarbamoylamino)carbamate
PubChem CID568737
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Nameethyl N-(methylcarbamoylamino)carbamate
SMILESCCOC(=O)NNC(=O)NC
InChIInChI=1S/C5H11N3O3/c1-3-11-5(10)8-7-4(9)6-2/h3H2,1-2H3,(H,8,10)(H2,6,7,9)
InChIKeyMPAVAJIEMAZADI-UHFFFAOYSA-N
XLogP-0.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-methylcarbamate;formaldehyde
CID 160650405
ethyl N-(methylcarbamothioyl)carbamate
CID 45032345
ethyl N-[(4-bromophenyl)carbamoylamino]carbamate
CID 2954633
ethyl N-[(2,6-dimethylphenyl)carbamoylamino]carbamate
CID 4191656
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-(propylamino)carbamate
CID 88968739
ethyl N-hydroxycarbamate
CID 11510
ethyl N-(2-aminoethylamino)carbamate
CID 134311496
ethyl (2Z)-2-bromo-2-(methylcarbamoylhydrazinylidene)acetate
CID 15561703
ethyl N-iodocarbamate
CID 21443578
CID 88818502
CID 88818502
ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 172727391

Frequently Asked Questions

What is the IUPAC name of ethyl N-(methylcarbamoylamino)carbamate?
The IUPAC name of ethyl N-(methylcarbamoylamino)carbamate (CID 568737) is ethyl N-(methylcarbamoylamino)carbamate.
What is the SMILES notation for ethyl N-(methylcarbamoylamino)carbamate?
The canonical SMILES for ethyl N-(methylcarbamoylamino)carbamate is CCOC(=O)NNC(=O)NC.
What is the InChIKey of ethyl N-(methylcarbamoylamino)carbamate?
The InChIKey is MPAVAJIEMAZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-3-11-5(10)8-7-4(9)6-2/h3H2,1-2H3,(H,8,10)(H2,6,7,9).
What are the key properties of ethyl N-(methylcarbamoylamino)carbamate?
ethyl N-(methylcarbamoylamino)carbamate has a molecular weight of 161.16 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(methylcarbamoylamino)carbamate is sourced from PubChem (CID 568737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).