ethyl (2R)-2-amino-2-phenylacetate

C10H13NO2 — CID 6922658

IUPACethyl (2R)-2-amino-2-phenylacetate
SMILESCCOC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3/t9-/m1/s1
InChIKeyVWKGPFHYXWGWEI-SECBINFHSA-N
MW179.22 g/mol
LogP1.25
Rot. Bonds3

About ethyl (2R)-2-amino-2-phenylacetate

ethyl (2R)-2-amino-2-phenylacetate (PubChem CID 6922658) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-phenylacetate
PubChem CID6922658
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameethyl (2R)-2-amino-2-phenylacetate
SMILESCCOC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3/t9-/m1/s1
InChIKeyVWKGPFHYXWGWEI-SECBINFHSA-N
XLogP1.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-phenylacetate chloride
CID 3083657
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
ethyl 2-amino-2-[4-(benzenesulfonyl)phenyl]acetate
CID 3334065
2-propoxyethyl 2-amino-2-phenylacetate
CID 55234460
ethyl 2-amino-2-phenylacetate;ethyl 2-formamido-2-phenylacetate;hydrochloride
CID 158687783
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
ethyl (2S)-2-phenylpropanoate
CID 7204861

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-amino-2-phenylacetate (CID 6922658) is ethyl (2R)-2-amino-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-amino-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-amino-2-phenylacetate is CCOC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-amino-2-phenylacetate?
The InChIKey is VWKGPFHYXWGWEI-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-phenylacetate?
ethyl (2R)-2-amino-2-phenylacetate has a molecular weight of 179.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-phenylacetate is sourced from PubChem (CID 6922658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).