ethyl 2-(2-carbamoyloxyethylamino)acetate

C7H14N2O4 — CID 83209785

IUPACethyl 2-(2-carbamoyloxyethylamino)acetate
SMILESCCOC(=O)CNCCOC(N)=O
InChIInChI=1S/C7H14N2O4/c1-2-12-6(10)5-9-3-4-13-7(8)11/h9H,2-5H2,1H3,(H2,8,11)
InChIKeyNHNSDBNGCZVSQV-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.77
Rot. Bonds6

About ethyl 2-(2-carbamoyloxyethylamino)acetate

ethyl 2-(2-carbamoyloxyethylamino)acetate (PubChem CID 83209785) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 2-(2-carbamoyloxyethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-carbamoyloxyethylamino)acetate
PubChem CID83209785
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Nameethyl 2-(2-carbamoyloxyethylamino)acetate
SMILESCCOC(=O)CNCCOC(N)=O
InChIInChI=1S/C7H14N2O4/c1-2-12-6(10)5-9-3-4-13-7(8)11/h9H,2-5H2,1H3,(H2,8,11)
InChIKeyNHNSDBNGCZVSQV-UHFFFAOYSA-N
XLogP-0.77
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
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CID 169059588
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CID 107095428
ethyl (E)-4-(2-carbamoyloxyethylamino)but-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-carbamoyloxyethylamino)acetate?
The IUPAC name of ethyl 2-(2-carbamoyloxyethylamino)acetate (CID 83209785) is ethyl 2-(2-carbamoyloxyethylamino)acetate.
What is the SMILES notation for ethyl 2-(2-carbamoyloxyethylamino)acetate?
The canonical SMILES for ethyl 2-(2-carbamoyloxyethylamino)acetate is CCOC(=O)CNCCOC(N)=O.
What is the InChIKey of ethyl 2-(2-carbamoyloxyethylamino)acetate?
The InChIKey is NHNSDBNGCZVSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-12-6(10)5-9-3-4-13-7(8)11/h9H,2-5H2,1H3,(H2,8,11).
What are the key properties of ethyl 2-(2-carbamoyloxyethylamino)acetate?
ethyl 2-(2-carbamoyloxyethylamino)acetate has a molecular weight of 190.20 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-carbamoyloxyethylamino)acetate is sourced from PubChem (CID 83209785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).