tert-butyl 3-(ethoxyamino)propanoate

C9H19NO3 — CID 103624519

IUPACtert-butyl 3-(ethoxyamino)propanoate
SMILESCCONCCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-12-10-7-6-8(11)13-9(2,3)4/h10H,5-7H2,1-4H3
InChIKeyRNKVDBJMPHGHOK-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.26
Rot. Bonds5

About tert-butyl 3-(ethoxyamino)propanoate

tert-butyl 3-(ethoxyamino)propanoate (PubChem CID 103624519) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl 3-(ethoxyamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(ethoxyamino)propanoate
PubChem CID103624519
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl 3-(ethoxyamino)propanoate
SMILESCCONCCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-12-10-7-6-8(11)13-9(2,3)4/h10H,5-7H2,1-4H3
InChIKeyRNKVDBJMPHGHOK-UHFFFAOYSA-N
XLogP1.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(ethoxyamino)propanoate?
The IUPAC name of tert-butyl 3-(ethoxyamino)propanoate (CID 103624519) is tert-butyl 3-(ethoxyamino)propanoate.
What is the SMILES notation for tert-butyl 3-(ethoxyamino)propanoate?
The canonical SMILES for tert-butyl 3-(ethoxyamino)propanoate is CCONCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(ethoxyamino)propanoate?
The InChIKey is RNKVDBJMPHGHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-12-10-7-6-8(11)13-9(2,3)4/h10H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-(ethoxyamino)propanoate?
tert-butyl 3-(ethoxyamino)propanoate has a molecular weight of 189.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(ethoxyamino)propanoate is sourced from PubChem (CID 103624519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).