2-[carbamoyl(methanimidoyl)amino]ethyl acetate

C6H11N3O3 — CID 156847595

IUPAC2-[carbamoyl(methanimidoyl)amino]ethyl acetate
SMILES[H]/N=C/N(CCOC(C)=O)C(N)=O
InChIInChI=1S/C6H11N3O3/c1-5(10)12-3-2-9(4-7)6(8)11/h4,7H,2-3H2,1H3,(H2,8,11)/b7-4+
InChIKeyFOQWJFAUBDTZIU-QPJJXVBHSA-N
MW173.17 g/mol
LogP-0.46
Rot. Bonds4

About 2-[carbamoyl(methanimidoyl)amino]ethyl acetate

2-[carbamoyl(methanimidoyl)amino]ethyl acetate (PubChem CID 156847595) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[carbamoyl(methanimidoyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[carbamoyl(methanimidoyl)amino]ethyl acetate
PubChem CID156847595
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[carbamoyl(methanimidoyl)amino]ethyl acetate
SMILES[H]/N=C/N(CCOC(C)=O)C(N)=O
InChIInChI=1S/C6H11N3O3/c1-5(10)12-3-2-9(4-7)6(8)11/h4,7H,2-3H2,1H3,(H2,8,11)/b7-4+
InChIKeyFOQWJFAUBDTZIU-QPJJXVBHSA-N
XLogP-0.46
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(Aminoiminomethyl)-N-methylglycine ethyl ester
CID 10197817
Creatine ethyl ester HCl
CID 25114309
2-[Carbamimidoyl(methyl)amino]ethyl acetate
CID 54024263
Propyl 2-[carbamimidoyl(methyl)amino]acetate
CID 87620849
Ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate
CID 118972479
2-[Carbamoyl(methyl)amino]ethyl acetate
CID 144084342
2-(5-oxo-1H-1,2,4-triazol-4-yl)ethyl acetate
CID 156847483
Ethyl 2-[carbamoyl(carbonobromidimidoyl)amino]acetate
CID 156847508
2-[Carbamoyl(carbonobromidimidoyl)amino]ethyl acetate
CID 156847658
Ethyl 2-[methanimidoyl(methyl)amino]acetate
CID 144046395

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(methanimidoyl)amino]ethyl acetate?
The IUPAC name of 2-[carbamoyl(methanimidoyl)amino]ethyl acetate (CID 156847595) is 2-[carbamoyl(methanimidoyl)amino]ethyl acetate.
What is the SMILES notation for 2-[carbamoyl(methanimidoyl)amino]ethyl acetate?
The canonical SMILES for 2-[carbamoyl(methanimidoyl)amino]ethyl acetate is [H]/N=C/N(CCOC(C)=O)C(N)=O.
What is the InChIKey of 2-[carbamoyl(methanimidoyl)amino]ethyl acetate?
The InChIKey is FOQWJFAUBDTZIU-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-5(10)12-3-2-9(4-7)6(8)11/h4,7H,2-3H2,1H3,(H2,8,11)/b7-4+.
What are the key properties of 2-[carbamoyl(methanimidoyl)amino]ethyl acetate?
2-[carbamoyl(methanimidoyl)amino]ethyl acetate has a molecular weight of 173.17 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(methanimidoyl)amino]ethyl acetate is sourced from PubChem (CID 156847595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).