ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate

C12H23NO5 — CID 87219615

IUPACethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
SMILESCCOC(=O)CO[C@H](C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-6-16-10(14)8-17-9(2)7-13-11(15)18-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)/t9-/m1/s1
InChIKeyKHVUTUHWRKYNPL-SECBINFHSA-N
MW261.32 g/mol
LogP1.48
Rot. Bonds6

About ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate

ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate (PubChem CID 87219615) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
PubChem CID87219615
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nameethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
SMILESCCOC(=O)CO[C@H](C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-6-16-10(14)8-17-9(2)7-13-11(15)18-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)/t9-/m1/s1
InChIKeyKHVUTUHWRKYNPL-SECBINFHSA-N
XLogP1.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 3-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442125
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
ethyl 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442062
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
methyl N-(2-ethoxypropyl)carbamate
CID 115649304
ethyl 3-hydroxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 88937635
ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate?
The IUPAC name of ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate (CID 87219615) is ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate?
The canonical SMILES for ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate is CCOC(=O)CO[C@H](C)CNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate?
The InChIKey is KHVUTUHWRKYNPL-SECBINFHSA-N. The full InChI is InChI=1S/C12H23NO5/c1-6-16-10(14)8-17-9(2)7-13-11(15)18-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)/t9-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate?
ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate has a molecular weight of 261.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate is sourced from PubChem (CID 87219615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).