ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C13H23NO4 — CID 22397321

IUPACethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C13H23NO4/c1-5-17-11(15)8-9-14(10-6-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyLHTGBLWVIQIOPG-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.34
Rot. Bonds5

About ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 22397321) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID22397321
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C13H23NO4/c1-5-17-11(15)8-9-14(10-6-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyLHTGBLWVIQIOPG-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate 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 ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 22397321) is ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CCOC(=O)CCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is LHTGBLWVIQIOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-17-11(15)8-9-14(10-6-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 257.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 22397321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).