methyl 2-amino-2-ethoxycarbonyloxyacetate

C6H11NO5 — CID 134425335

IUPACmethyl 2-amino-2-ethoxycarbonyloxyacetate
SMILESCCOC(=O)OC(N)C(=O)OC
InChIInChI=1S/C6H11NO5/c1-3-11-6(9)12-4(7)5(8)10-2/h4H,3,7H2,1-2H3
InChIKeyRNNIRWDVNHPVNY-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.38
Rot. Bonds3

About methyl 2-amino-2-ethoxycarbonyloxyacetate

methyl 2-amino-2-ethoxycarbonyloxyacetate (PubChem CID 134425335) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl 2-amino-2-ethoxycarbonyloxyacetate.

Molecular Properties

Compound Namemethyl 2-amino-2-ethoxycarbonyloxyacetate
PubChem CID134425335
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Namemethyl 2-amino-2-ethoxycarbonyloxyacetate
SMILESCCOC(=O)OC(N)C(=O)OC
InChIInChI=1S/C6H11NO5/c1-3-11-6(9)12-4(7)5(8)10-2/h4H,3,7H2,1-2H3
InChIKeyRNNIRWDVNHPVNY-UHFFFAOYSA-N
XLogP-0.38
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
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CID 175269376
CID 175269376
ethanol;ethyl methyl carbonate
CID 161101393
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CID 175796855
ethyl [1-oxo-1-(propan-2-ylamino)propan-2-yl] carbonate
CID 176773342
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
ethyl 1-fluoroethyl carbonate
CID 11491942
N,N-diethylethanamine;ethyl methyl carbonate
CID 175445497
1-O-ethoxycarbonyl 3-O-methyl 2-ethylpropanedioate
CID 174658003
ethyl 1-propan-2-yloxyethyl carbonate
CID 118149585
4-O-(1-ethoxycarbonyloxyethyl) 1-O-methyl but-2-enedioate
CID 72529787
1,3-dioxane;ethyl methyl carbonate
CID 174876251

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-ethoxycarbonyloxyacetate?
The IUPAC name of methyl 2-amino-2-ethoxycarbonyloxyacetate (CID 134425335) is methyl 2-amino-2-ethoxycarbonyloxyacetate.
What is the SMILES notation for methyl 2-amino-2-ethoxycarbonyloxyacetate?
The canonical SMILES for methyl 2-amino-2-ethoxycarbonyloxyacetate is CCOC(=O)OC(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-ethoxycarbonyloxyacetate?
The InChIKey is RNNIRWDVNHPVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c1-3-11-6(9)12-4(7)5(8)10-2/h4H,3,7H2,1-2H3.
What are the key properties of methyl 2-amino-2-ethoxycarbonyloxyacetate?
methyl 2-amino-2-ethoxycarbonyloxyacetate has a molecular weight of 177.16 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-ethoxycarbonyloxyacetate is sourced from PubChem (CID 134425335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).