potassium;(4-chlorophenyl) 2-aminoacetate;hydride

C8H9ClKNO2 — CID 174962254

IUPACpotassium;(4-chlorophenyl) 2-aminoacetate;hydride
SMILESNCC(=O)Oc1ccc(Cl)cc1.[H-].[K+]
InChIInChI=1S/C8H8ClNO2.K.H/c9-6-1-3-7(4-2-6)12-8(11)5-10;;/h1-4H,5,10H2;;/q;+1;-1
InChIKeyPDRFYWXKNWDQRA-UHFFFAOYSA-N
MW225.72 g/mol
LogP-1.68
Rot. Bonds2

About potassium;(4-chlorophenyl) 2-aminoacetate;hydride

potassium;(4-chlorophenyl) 2-aminoacetate;hydride (PubChem CID 174962254) has the molecular formula C8H9ClKNO2 and a molecular weight of 225.72 g/mol. Its IUPAC name is potassium;(4-chlorophenyl) 2-aminoacetate;hydride.

Molecular Properties

Compound Namepotassium;(4-chlorophenyl) 2-aminoacetate;hydride
PubChem CID174962254
Molecular FormulaC8H9ClKNO2
Molecular Weight225.72 g/mol
Exact Mass225.00
IUPAC Namepotassium;(4-chlorophenyl) 2-aminoacetate;hydride
SMILESNCC(=O)Oc1ccc(Cl)cc1.[H-].[K+]
InChIInChI=1S/C8H8ClNO2.K.H/c9-6-1-3-7(4-2-6)12-8(11)5-10;;/h1-4H,5,10H2;;/q;+1;-1
InChIKeyPDRFYWXKNWDQRA-UHFFFAOYSA-N
XLogP-1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
(4-chlorophenyl) 2-methoxyacetate
CID 849221
5-O-(4-chlorophenyl) 1-O-ethyl pentanedioate
CID 91718068
2-amino-4-(4-chlorophenoxy)-4-oxobutanoic acid;hydrochloride
CID 89350201
(4-chlorophenyl) 3,4-dimethylpentanoate
CID 123230696
(4-chlorophenyl) 2-aminoethylsulfanylformate
CID 581940
(4-chlorophenyl) pentanoate
CID 532709
(4-benzoylphenyl) 2-aminoacetate
CID 174837870
(4-chlorophenyl) acetate
CID 13410
[(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate
CID 58684209
(4-chlorophenyl) 2,3-dihydroxypropanoate
CID 23616443
(4-chlorophenyl) 2-hydroxyethyl carbonate
CID 54130253

Frequently Asked Questions

What is the IUPAC name of potassium;(4-chlorophenyl) 2-aminoacetate;hydride?
The IUPAC name of potassium;(4-chlorophenyl) 2-aminoacetate;hydride (CID 174962254) is potassium;(4-chlorophenyl) 2-aminoacetate;hydride.
What is the SMILES notation for potassium;(4-chlorophenyl) 2-aminoacetate;hydride?
The canonical SMILES for potassium;(4-chlorophenyl) 2-aminoacetate;hydride is NCC(=O)Oc1ccc(Cl)cc1.[H-].[K+].
What is the InChIKey of potassium;(4-chlorophenyl) 2-aminoacetate;hydride?
The InChIKey is PDRFYWXKNWDQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2.K.H/c9-6-1-3-7(4-2-6)12-8(11)5-10;;/h1-4H,5,10H2;;/q;+1;-1.
What are the key properties of potassium;(4-chlorophenyl) 2-aminoacetate;hydride?
potassium;(4-chlorophenyl) 2-aminoacetate;hydride has a molecular weight of 225.72 g/mol, XLogP of -1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(4-chlorophenyl) 2-aminoacetate;hydride is sourced from PubChem (CID 174962254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).