ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate

C13H19NO3 — CID 101214254

IUPACethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate
SMILESCCOC(=O)CN[C@@H](COC)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-17-13(15)9-14-12(10-16-2)11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3/t12-/m0/s1
InChIKeyVHMNLJHOCVLHPB-LBPRGKRZSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds7

About ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate

ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate (PubChem CID 101214254) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate
PubChem CID101214254
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate
SMILESCCOC(=O)CN[C@@H](COC)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-17-13(15)9-14-12(10-16-2)11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3/t12-/m0/s1
InChIKeyVHMNLJHOCVLHPB-LBPRGKRZSA-N
XLogP1.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate?
The IUPAC name of ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate (CID 101214254) is ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate is CCOC(=O)CN[C@@H](COC)c1ccccc1.
What is the InChIKey of ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate?
The InChIKey is VHMNLJHOCVLHPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-13(15)9-14-12(10-16-2)11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate?
ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1R)-2-methoxy-1-phenylethyl]amino]acetate is sourced from PubChem (CID 101214254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).