potassium (2S)-2-amino-2-(4-chlorophenyl)acetate

C8H7ClKNO2 — CID 101446310

IUPACpotassium (2S)-2-amino-2-(4-chlorophenyl)acetate
SMILESN[C@H](C(=O)[O-])c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C8H8ClNO2.K/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);/q;+1/p-1/t7-;/m0./s1
InChIKeyHEKLCKUKXWVHTE-FJXQXJEOSA-M
MW223.70 g/mol
LogP-2.91
Rot. Bonds2

About potassium (2S)-2-amino-2-(4-chlorophenyl)acetate

potassium (2S)-2-amino-2-(4-chlorophenyl)acetate (PubChem CID 101446310) has the molecular formula C8H7ClKNO2 and a molecular weight of 223.70 g/mol. Its IUPAC name is potassium (2S)-2-amino-2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Namepotassium (2S)-2-amino-2-(4-chlorophenyl)acetate
PubChem CID101446310
Molecular FormulaC8H7ClKNO2
Molecular Weight223.70 g/mol
Exact Mass222.98
IUPAC Namepotassium (2S)-2-amino-2-(4-chlorophenyl)acetate
SMILESN[C@H](C(=O)[O-])c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C8H8ClNO2.K/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);/q;+1/p-1/t7-;/m0./s1
InChIKeyHEKLCKUKXWVHTE-FJXQXJEOSA-M
XLogP-2.91
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 5-2.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze potassium (2S)-2-amino-2-(4-chlorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide
CID 116848886
2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522
lithium 2-(4-chlorophenyl)-3-methylbutanoate
CID 139900387
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
2-(4-chlorophenyl)-2-fluoroacetic acid
CID 12602113
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid
CID 53402028
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
(2R)-2-(4-chloroanilino)propanoate
CID 7152546
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-2-amino-2-(4-chlorophenyl)acetate?
The IUPAC name of potassium (2S)-2-amino-2-(4-chlorophenyl)acetate (CID 101446310) is potassium (2S)-2-amino-2-(4-chlorophenyl)acetate.
What is the SMILES notation for potassium (2S)-2-amino-2-(4-chlorophenyl)acetate?
The canonical SMILES for potassium (2S)-2-amino-2-(4-chlorophenyl)acetate is N[C@H](C(=O)[O-])c1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium (2S)-2-amino-2-(4-chlorophenyl)acetate?
The InChIKey is HEKLCKUKXWVHTE-FJXQXJEOSA-M. The full InChI is InChI=1S/C8H8ClNO2.K/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);/q;+1/p-1/t7-;/m0./s1.
What are the key properties of potassium (2S)-2-amino-2-(4-chlorophenyl)acetate?
potassium (2S)-2-amino-2-(4-chlorophenyl)acetate has a molecular weight of 223.70 g/mol, XLogP of -2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-2-amino-2-(4-chlorophenyl)acetate is sourced from PubChem (CID 101446310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).