2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate

C9H17NO5 — CID 141173053

IUPAC2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate
SMILESCCOC(=O)OC(N)C(=O)OCC(C)C
InChIInChI=1S/C9H17NO5/c1-4-13-9(12)15-7(10)8(11)14-5-6(2)3/h6-7H,4-5,10H2,1-3H3
InChIKeyACILAWASYQSRNJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.64
Rot. Bonds5

About 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate

2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate (PubChem CID 141173053) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate
PubChem CID141173053
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate
SMILESCCOC(=O)OC(N)C(=O)OCC(C)C
InChIInChI=1S/C9H17NO5/c1-4-13-9(12)15-7(10)8(11)14-5-6(2)3/h6-7H,4-5,10H2,1-3H3
InChIKeyACILAWASYQSRNJ-UHFFFAOYSA-N
XLogP0.64
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate?
The IUPAC name of 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate (CID 141173053) is 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate.
What is the SMILES notation for 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate?
The canonical SMILES for 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate is CCOC(=O)OC(N)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate?
The InChIKey is ACILAWASYQSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-4-13-9(12)15-7(10)8(11)14-5-6(2)3/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate?
2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate has a molecular weight of 219.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-2-ethoxycarbonyloxyacetate is sourced from PubChem (CID 141173053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).