ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C12H23NO5 — CID 11391339

IUPACethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCCOC(=O)C(CCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-5-17-10(15)9(7-6-8-14)13-11(16)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,16)
InChIKeyCEOZBVBYCMVGRB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.22
Rot. Bonds6

About ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 11391339) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID11391339
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nameethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCCOC(=O)C(CCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-5-17-10(15)9(7-6-8-14)13-11(16)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,16)
InChIKeyCEOZBVBYCMVGRB-UHFFFAOYSA-N
XLogP1.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 11391339) is ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CCOC(=O)C(CCCO)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is CEOZBVBYCMVGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-5-17-10(15)9(7-6-8-14)13-11(16)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,16).
What are the key properties of ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 261.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 11391339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).