(2-chlorophenyl) 2-aminoacetate;hydrochloride

C8H9Cl2NO2 — CID 174643390

IUPAC(2-chlorophenyl) 2-aminoacetate;hydrochloride
SMILESCl.NCC(=O)Oc1ccccc1Cl
InChIInChI=1S/C8H8ClNO2.ClH/c9-6-3-1-2-4-7(6)12-8(11)5-10;/h1-4H,5,10H2;1H
InChIKeyRHGJNHGOPKDOOZ-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.63
Rot. Bonds2

About (2-chlorophenyl) 2-aminoacetate;hydrochloride

(2-chlorophenyl) 2-aminoacetate;hydrochloride (PubChem CID 174643390) has the molecular formula C8H9Cl2NO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is (2-chlorophenyl) 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Name(2-chlorophenyl) 2-aminoacetate;hydrochloride
PubChem CID174643390
Molecular FormulaC8H9Cl2NO2
Molecular Weight222.07 g/mol
Exact Mass221.00
IUPAC Name(2-chlorophenyl) 2-aminoacetate;hydrochloride
SMILESCl.NCC(=O)Oc1ccccc1Cl
InChIInChI=1S/C8H8ClNO2.ClH/c9-6-3-1-2-4-7(6)12-8(11)5-10;/h1-4H,5,10H2;1H
InChIKeyRHGJNHGOPKDOOZ-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.63
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

(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-methoxyacetate
CID 542147
(2-chlorophenyl) 2-(4-chlorophenyl)acetate
CID 3431914
5-(2-chlorophenoxy)-5-oxopentanoic acid
CID 57264991
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
(2-chlorophenyl) pent-4-enoate
CID 66826844
ethyl 4-amino-3-(2-chlorophenoxy)but-2-enoate
CID 141377134
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727
(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83823724
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
CID 16730463
(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate
CID 175409197

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-aminoacetate;hydrochloride?
The IUPAC name of (2-chlorophenyl) 2-aminoacetate;hydrochloride (CID 174643390) is (2-chlorophenyl) 2-aminoacetate;hydrochloride.
What is the SMILES notation for (2-chlorophenyl) 2-aminoacetate;hydrochloride?
The canonical SMILES for (2-chlorophenyl) 2-aminoacetate;hydrochloride is Cl.NCC(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) 2-aminoacetate;hydrochloride?
The InChIKey is RHGJNHGOPKDOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2.ClH/c9-6-3-1-2-4-7(6)12-8(11)5-10;/h1-4H,5,10H2;1H.
What are the key properties of (2-chlorophenyl) 2-aminoacetate;hydrochloride?
(2-chlorophenyl) 2-aminoacetate;hydrochloride has a molecular weight of 222.07 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-aminoacetate;hydrochloride is sourced from PubChem (CID 174643390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).