2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate

C7H14N4O4 — CID 175942275

IUPAC2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate
SMILESC/N=C/NOCC(=O)NCCOC(N)=O
InChIInChI=1S/C7H14N4O4/c1-9-5-11-15-4-6(12)10-2-3-14-7(8)13/h5H,2-4H2,1H3,(H2,8,13)(H,9,11)(H,10,12)
InChIKeyGBMUEKGFVZTSOY-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.62
Rot. Bonds7

About 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate

2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate (PubChem CID 175942275) has the molecular formula C7H14N4O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate
PubChem CID175942275
Molecular FormulaC7H14N4O4
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate
SMILESC/N=C/NOCC(=O)NCCOC(N)=O
InChIInChI=1S/C7H14N4O4/c1-9-5-11-15-4-6(12)10-2-3-14-7(8)13/h5H,2-4H2,1H3,(H2,8,13)(H,9,11)(H,10,12)
InChIKeyGBMUEKGFVZTSOY-UHFFFAOYSA-N
XLogP-1.62
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 142470512
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
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2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
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2-[[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]amino]ethyl carbamate
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2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
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2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
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2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
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2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate (CID 175942275) is 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate is C/N=C/NOCC(=O)NCCOC(N)=O.
What is the InChIKey of 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate?
The InChIKey is GBMUEKGFVZTSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O4/c1-9-5-11-15-4-6(12)10-2-3-14-7(8)13/h5H,2-4H2,1H3,(H2,8,13)(H,9,11)(H,10,12).
What are the key properties of 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate?
2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate has a molecular weight of 218.21 g/mol, XLogP of -1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate is sourced from PubChem (CID 175942275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).