acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride

C11H15Cl2NO3 — CID 161383135

IUPACacetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride
SMILESCC(=O)Cl.COC(=O)[C@H](N)c1ccccc1.Cl
InChIInChI=1S/C9H11NO2.C2H3ClO.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;1-2(3)4;/h2-6,8H,10H2,1H3;1H3;1H/t8-;;/m1../s1
InChIKeyRKIDTWZLMJKTLR-YCBDHFTFSA-N
MW280.15 g/mol
LogP2.05
Rot. Bonds2

About acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride

acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride (PubChem CID 161383135) has the molecular formula C11H15Cl2NO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Nameacetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride
PubChem CID161383135
Molecular FormulaC11H15Cl2NO3
Molecular Weight280.15 g/mol
Exact Mass279.04
IUPAC Nameacetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride
SMILESCC(=O)Cl.COC(=O)[C@H](N)c1ccccc1.Cl
InChIInChI=1S/C9H11NO2.C2H3ClO.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;1-2(3)4;/h2-6,8H,10H2,1H3;1H3;1H/t8-;;/m1../s1
InChIKeyRKIDTWZLMJKTLR-YCBDHFTFSA-N
XLogP2.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate
CID 159907951
methyl 3-chloro-3-oxo-2-phenylpropanoate
CID 12726479
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl 2-amino-2-phenylacetate;methyl 2-(benzylideneamino)-2-phenylacetate
CID 158119010
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
(2S)-2-amino-N-methyl-2-phenylacetamide;hydrochloride
CID 68552126
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071
2-amino-2-phenylacetyl chloride;hydron;chloride
CID 51056098
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
ethyl 2-amino-2-phenylacetate chloride
CID 3083657

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride?
The IUPAC name of acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride (CID 161383135) is acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride.
What is the SMILES notation for acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride?
The canonical SMILES for acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride is CC(=O)Cl.COC(=O)[C@H](N)c1ccccc1.Cl.
What is the InChIKey of acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride?
The InChIKey is RKIDTWZLMJKTLR-YCBDHFTFSA-N. The full InChI is InChI=1S/C9H11NO2.C2H3ClO.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;1-2(3)4;/h2-6,8H,10H2,1H3;1H3;1H/t8-;;/m1../s1.
What are the key properties of acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride?
acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride has a molecular weight of 280.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride is sourced from PubChem (CID 161383135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).