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

C14H25NO4 — CID 22397325

IUPACethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)OC(C)(C)C)C1CCC1
InChIInChI=1S/C14H25NO4/c1-5-18-12(16)9-10-15(11-7-6-8-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
InChIKeyQKCXZMAFLFRNSR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds5

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

ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 22397325) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID22397325
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)OC(C)(C)C)C1CCC1
InChIInChI=1S/C14H25NO4/c1-5-18-12(16)9-10-15(11-7-6-8-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
InChIKeyQKCXZMAFLFRNSR-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 22397325) is ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CCOC(=O)CCN(C(=O)OC(C)(C)C)C1CCC1.
What is the InChIKey of ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is QKCXZMAFLFRNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-18-12(16)9-10-15(11-7-6-8-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 271.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 22397325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).