2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate

C12H23NO3 — CID 75456293

IUPAC2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OCCOC(C)C)C1CC1
InChIInChI=1S/C12H23NO3/c1-4-13(11-5-6-11)9-12(14)16-8-7-15-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeySYALWYBAOAHLRI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds8

About 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate

2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate (PubChem CID 75456293) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate
PubChem CID75456293
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OCCOC(C)C)C1CC1
InChIInChI=1S/C12H23NO3/c1-4-13(11-5-6-11)9-12(14)16-8-7-15-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeySYALWYBAOAHLRI-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate?
The IUPAC name of 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate (CID 75456293) is 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate is CCN(CC(=O)OCCOC(C)C)C1CC1.
What is the InChIKey of 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate?
The InChIKey is SYALWYBAOAHLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-13(11-5-6-11)9-12(14)16-8-7-15-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate?
2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate is sourced from PubChem (CID 75456293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).