ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate

C10H12ClNO2 — CID 31882254

IUPACethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
SMILESCCOC(=O)[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2,12H2,1H3/t9-/m1/s1
InChIKeyRBJBLESPMGILOU-SECBINFHSA-N
MW213.66 g/mol
LogP1.90
Rot. Bonds3

About ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate

ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate (PubChem CID 31882254) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
PubChem CID31882254
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Nameethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
SMILESCCOC(=O)[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2,12H2,1H3/t9-/m1/s1
InChIKeyRBJBLESPMGILOU-SECBINFHSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
CID 83229955
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
CID 3961928
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl 2-azido-2-(4-chlorophenyl)acetate
CID 135075502
ethyl (2S,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanoate
CID 11276671

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate?
The IUPAC name of ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate (CID 31882254) is ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate?
The canonical SMILES for ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate is CCOC(=O)[C@H](N)c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate?
The InChIKey is RBJBLESPMGILOU-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2,12H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate?
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate has a molecular weight of 213.66 g/mol, XLogP of 1.90, 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-(4-chlorophenyl)acetate is sourced from PubChem (CID 31882254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).