ethyl 2-amino-2-phenylacetate chloride

C10H13ClNO2- — CID 3083657

IUPACethyl 2-amino-2-phenylacetate chloride
SMILESCCOC(=O)C(N)c1ccccc1.[Cl-]
InChIInChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H/p-1
InChIKeyFNNXQLSKQSVNLL-UHFFFAOYSA-M
MW214.67 g/mol
LogP-1.75
Rot. Bonds3

About ethyl 2-amino-2-phenylacetate chloride

ethyl 2-amino-2-phenylacetate chloride (PubChem CID 3083657) has the molecular formula C10H13ClNO2- and a molecular weight of 214.67 g/mol. Its IUPAC name is ethyl 2-amino-2-phenylacetate chloride.

Molecular Properties

Compound Nameethyl 2-amino-2-phenylacetate chloride
PubChem CID3083657
Molecular FormulaC10H13ClNO2-
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Nameethyl 2-amino-2-phenylacetate chloride
SMILESCCOC(=O)C(N)c1ccccc1.[Cl-]
InChIInChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H/p-1
InChIKeyFNNXQLSKQSVNLL-UHFFFAOYSA-M
XLogP-1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
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-chlorophenyl)acetate
CID 31882254
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
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 2-amino-2-phenylacetate chloride?
The IUPAC name of ethyl 2-amino-2-phenylacetate chloride (CID 3083657) is ethyl 2-amino-2-phenylacetate chloride.
What is the SMILES notation for ethyl 2-amino-2-phenylacetate chloride?
The canonical SMILES for ethyl 2-amino-2-phenylacetate chloride is CCOC(=O)C(N)c1ccccc1.[Cl-].
What is the InChIKey of ethyl 2-amino-2-phenylacetate chloride?
The InChIKey is FNNXQLSKQSVNLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H/p-1.
What are the key properties of ethyl 2-amino-2-phenylacetate chloride?
ethyl 2-amino-2-phenylacetate chloride has a molecular weight of 214.67 g/mol, XLogP of -1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-phenylacetate chloride is sourced from PubChem (CID 3083657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).