(2R)-2-amino-2-phenylpropanoyl chloride

C9H10ClNO — CID 141365713

IUPAC(2R)-2-amino-2-phenylpropanoyl chloride
SMILESC[C@](N)(C(=O)Cl)c1ccccc1
InChIInChI=1S/C9H10ClNO/c1-9(11,8(10)12)7-5-3-2-4-6-7/h2-6H,11H2,1H3/t9-/m1/s1
InChIKeyQDBNRXKYGXCPGK-SECBINFHSA-N
MW183.64 g/mol
LogP1.63
Rot. Bonds2

About (2R)-2-amino-2-phenylpropanoyl chloride

(2R)-2-amino-2-phenylpropanoyl chloride (PubChem CID 141365713) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (2R)-2-amino-2-phenylpropanoyl chloride.

Molecular Properties

Compound Name(2R)-2-amino-2-phenylpropanoyl chloride
PubChem CID141365713
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(2R)-2-amino-2-phenylpropanoyl chloride
SMILESC[C@](N)(C(=O)Cl)c1ccccc1
InChIInChI=1S/C9H10ClNO/c1-9(11,8(10)12)7-5-3-2-4-6-7/h2-6H,11H2,1H3/t9-/m1/s1
InChIKeyQDBNRXKYGXCPGK-SECBINFHSA-N
XLogP1.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
2-amino-2-phenylhexan-3-one
CID 116563859
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
CID 116563850
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
CID 63645589
benzyl 2-amino-2-phenylpropanoate
CID 54322564
3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one
CID 107311328
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
3-amino-3-phenylpentane-2,4-dione
CID 70119036
S-(2-phenylpropan-2-yl) chloromethanethioate
CID 13089654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-phenylpropanoyl chloride?
The IUPAC name of (2R)-2-amino-2-phenylpropanoyl chloride (CID 141365713) is (2R)-2-amino-2-phenylpropanoyl chloride.
What is the SMILES notation for (2R)-2-amino-2-phenylpropanoyl chloride?
The canonical SMILES for (2R)-2-amino-2-phenylpropanoyl chloride is C[C@](N)(C(=O)Cl)c1ccccc1.
What is the InChIKey of (2R)-2-amino-2-phenylpropanoyl chloride?
The InChIKey is QDBNRXKYGXCPGK-SECBINFHSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-9(11,8(10)12)7-5-3-2-4-6-7/h2-6H,11H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-phenylpropanoyl chloride?
(2R)-2-amino-2-phenylpropanoyl chloride has a molecular weight of 183.64 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-phenylpropanoyl chloride is sourced from PubChem (CID 141365713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).