propyl 2-(2-methoxyethoxycarbonylamino)acetate

C9H17NO5 — CID 91693785

IUPACpropyl 2-(2-methoxyethoxycarbonylamino)acetate
SMILESCCCOC(=O)CNC(=O)OCCOC
InChIInChI=1S/C9H17NO5/c1-3-4-14-8(11)7-10-9(12)15-6-5-13-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyOSAMNQDEXICLOP-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.31
Rot. Bonds7

About propyl 2-(2-methoxyethoxycarbonylamino)acetate

propyl 2-(2-methoxyethoxycarbonylamino)acetate (PubChem CID 91693785) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is propyl 2-(2-methoxyethoxycarbonylamino)acetate.

Molecular Properties

Compound Namepropyl 2-(2-methoxyethoxycarbonylamino)acetate
PubChem CID91693785
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namepropyl 2-(2-methoxyethoxycarbonylamino)acetate
SMILESCCCOC(=O)CNC(=O)OCCOC
InChIInChI=1S/C9H17NO5/c1-3-4-14-8(11)7-10-9(12)15-6-5-13-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyOSAMNQDEXICLOP-UHFFFAOYSA-N
XLogP0.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-methoxyethoxycarbonylamino)acetate?
The IUPAC name of propyl 2-(2-methoxyethoxycarbonylamino)acetate (CID 91693785) is propyl 2-(2-methoxyethoxycarbonylamino)acetate.
What is the SMILES notation for propyl 2-(2-methoxyethoxycarbonylamino)acetate?
The canonical SMILES for propyl 2-(2-methoxyethoxycarbonylamino)acetate is CCCOC(=O)CNC(=O)OCCOC.
What is the InChIKey of propyl 2-(2-methoxyethoxycarbonylamino)acetate?
The InChIKey is OSAMNQDEXICLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-3-4-14-8(11)7-10-9(12)15-6-5-13-2/h3-7H2,1-2H3,(H,10,12).
What are the key properties of propyl 2-(2-methoxyethoxycarbonylamino)acetate?
propyl 2-(2-methoxyethoxycarbonylamino)acetate has a molecular weight of 219.24 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-methoxyethoxycarbonylamino)acetate is sourced from PubChem (CID 91693785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).