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

C15H27NO6 — CID 85120609

IUPACethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)C(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-9-20-11(17)10(2)16(12(18)21-14(3,4)5)13(19)22-15(6,7)8/h10H,9H2,1-8H3
InChIKeyRKUILRWFTSLRRY-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.11
Rot. Bonds3

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

ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 85120609) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID85120609
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Nameethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)C(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-9-20-11(17)10(2)16(12(18)21-14(3,4)5)13(19)22-15(6,7)8/h10H,9H2,1-8H3
InChIKeyRKUILRWFTSLRRY-UHFFFAOYSA-N
XLogP3.11
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 2-[bis[(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 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 85120609) is ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CCOC(=O)C(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is RKUILRWFTSLRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c1-9-20-11(17)10(2)16(12(18)21-14(3,4)5)13(19)22-15(6,7)8/h10H,9H2,1-8H3.
What are the key properties of ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 317.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 85120609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).