ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate

C14H19NO6 — CID 134870380

IUPACethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate
SMILESCCOC(=O)[C@@H](NC(=O)OC)c1ccc(OC)cc1OC
InChIInChI=1S/C14H19NO6/c1-5-21-13(16)12(15-14(17)20-4)10-7-6-9(18-2)8-11(10)19-3/h6-8,12H,5H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyLWXPOJSEWGLDFC-LBPRGKRZSA-N
MW297.31 g/mol
LogP1.66
Rot. Bonds6

About ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate

ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate (PubChem CID 134870380) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate
PubChem CID134870380
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Nameethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate
SMILESCCOC(=O)[C@@H](NC(=O)OC)c1ccc(OC)cc1OC
InChIInChI=1S/C14H19NO6/c1-5-21-13(16)12(15-14(17)20-4)10-7-6-9(18-2)8-11(10)19-3/h6-8,12H,5H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyLWXPOJSEWGLDFC-LBPRGKRZSA-N
XLogP1.66
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate?
The IUPAC name of ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate (CID 134870380) is ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate.
What is the SMILES notation for ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate?
The canonical SMILES for ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate is CCOC(=O)[C@@H](NC(=O)OC)c1ccc(OC)cc1OC.
What is the InChIKey of ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate?
The InChIKey is LWXPOJSEWGLDFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO6/c1-5-21-13(16)12(15-14(17)20-4)10-7-6-9(18-2)8-11(10)19-3/h6-8,12H,5H2,1-4H3,(H,15,17)/t12-/m0/s1.
What are the key properties of ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate?
ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate has a molecular weight of 297.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2,4-dimethoxyphenyl)-2-(methoxycarbonylamino)acetate is sourced from PubChem (CID 134870380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).