tert-butyl 3-(2-hydroxyethylamino)propanoate

C9H19NO3 — CID 18693831

IUPACtert-butyl 3-(2-hydroxyethylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNCCO
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(12)4-5-10-6-7-11/h10-11H,4-7H2,1-3H3
InChIKeySKMOIWJWSRYOLI-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds5

About tert-butyl 3-(2-hydroxyethylamino)propanoate

tert-butyl 3-(2-hydroxyethylamino)propanoate (PubChem CID 18693831) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxyethylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxyethylamino)propanoate
PubChem CID18693831
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl 3-(2-hydroxyethylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNCCO
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(12)4-5-10-6-7-11/h10-11H,4-7H2,1-3H3
InChIKeySKMOIWJWSRYOLI-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 tert-butyl 3-(2-hydroxyethylamino)propanoate?
The IUPAC name of tert-butyl 3-(2-hydroxyethylamino)propanoate (CID 18693831) is tert-butyl 3-(2-hydroxyethylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(2-hydroxyethylamino)propanoate?
The canonical SMILES for tert-butyl 3-(2-hydroxyethylamino)propanoate is CC(C)(C)OC(=O)CCNCCO.
What is the InChIKey of tert-butyl 3-(2-hydroxyethylamino)propanoate?
The InChIKey is SKMOIWJWSRYOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)4-5-10-6-7-11/h10-11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-(2-hydroxyethylamino)propanoate?
tert-butyl 3-(2-hydroxyethylamino)propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxyethylamino)propanoate is sourced from PubChem (CID 18693831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).