[2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate

C6H10N2O4 — CID 163581118

IUPAC[2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate
SMILESC=NCC(=O)OCOC(=O)CN
InChIInChI=1S/C6H10N2O4/c1-8-3-6(10)12-4-11-5(9)2-7/h1-4,7H2
InChIKeyGHPOCXKAIHPCHU-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.31
Rot. Bonds5

About [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate

[2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate (PubChem CID 163581118) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate.

Molecular Properties

Compound Name[2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate
PubChem CID163581118
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name[2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate
SMILESC=NCC(=O)OCOC(=O)CN
InChIInChI=1S/C6H10N2O4/c1-8-3-6(10)12-4-11-5(9)2-7/h1-4,7H2
InChIKeyGHPOCXKAIHPCHU-UHFFFAOYSA-N
XLogP-1.31
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 156803859
CID 156803859
ethyl 2-aminoacetate
CID 45039361
2-[(methylideneamino)methyl]prop-2-en-1-amine
CID 163742358
CID 172816698
CID 172816698
ethyl 2-aminoacetate;zirconium
CID 174594488
ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate
CID 159184038
ethanol;ethyl 2-aminoacetate
CID 174720999
2-aminoethaneperoxoic acid;hydrofluoride
CID 88599303
(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
amino 2-aminoacetate;zinc
CID 87197519
bis(2-aminoacetyl) oxalate
CID 88769554
CID 18415084
CID 18415084

Frequently Asked Questions

What is the IUPAC name of [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate?
The IUPAC name of [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate (CID 163581118) is [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate.
What is the SMILES notation for [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate?
The canonical SMILES for [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate is C=NCC(=O)OCOC(=O)CN.
What is the InChIKey of [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate?
The InChIKey is GHPOCXKAIHPCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-8-3-6(10)12-4-11-5(9)2-7/h1-4,7H2.
What are the key properties of [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate?
[2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate has a molecular weight of 174.16 g/mol, XLogP of -1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate is sourced from PubChem (CID 163581118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).