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

C13H25NO5 — CID 22645249

IUPACethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)CCN(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-5-18-11(16)7-9-14(8-6-10-15)12(17)19-13(2,3)4/h15H,5-10H2,1-4H3
InChIKeyRHSWSUIHGQRMJU-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.56
Rot. Bonds7

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

ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 22645249) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID22645249
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nameethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)CCN(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-5-18-11(16)7-9-14(8-6-10-15)12(17)19-13(2,3)4/h15H,5-10H2,1-4H3
InChIKeyRHSWSUIHGQRMJU-UHFFFAOYSA-N
XLogP1.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 22645249) is ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CCOC(=O)CCN(CCCO)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is RHSWSUIHGQRMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-5-18-11(16)7-9-14(8-6-10-15)12(17)19-13(2,3)4/h15H,5-10H2,1-4H3.
What are the key properties of ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 275.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 22645249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).