2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride

C11H15Cl2NO2 — CID 102555145

IUPAC2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride
SMILESCCN(CC(=O)O)Cc1ccccc1Cl.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-2-13(8-11(14)15)7-9-5-3-4-6-10(9)12;/h3-6H,2,7-8H2,1H3,(H,14,15);1H
InChIKeyMSLVGTFUEMHRPP-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.67
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride

2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride (PubChem CID 102555145) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride
PubChem CID102555145
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride
SMILESCCN(CC(=O)O)Cc1ccccc1Cl.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-2-13(8-11(14)15)7-9-5-3-4-6-10(9)12;/h3-6H,2,7-8H2,1H3,(H,14,15);1H
InChIKeyMSLVGTFUEMHRPP-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzylaminodiacetic acid
CID 77606
[3-(2-Chlorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 3237557
Carboxylic acid deriv. A3
CID 23645756
N-(2,6-dichlorobenzyl)valine
CID 3237092
N-benzyl-N-methylglycine
CID 301761
Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, methyl ester
CID 6446583
2-{[(4-Chlorophenyl)methyl]amino}acetic acid hydrochloride
CID 24186629
(2S)-2-{[(4-chlorophenyl)methyl]amino}propanoic acid
CID 14259254
2-(Benzyl(methyl)amino)acetic acid hydrochloride
CID 45792496
Carboxylic acid deriv. A1
CID 23645754
2-{[(2-Chlorophenyl)methyl](dimethylsulfamoyl)amino}propanoic acid
CID 23645759
N-(2-chlorobenzyl)-2-methylalanine
CID 3235955

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride (CID 102555145) is 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride is CCN(CC(=O)O)Cc1ccccc1Cl.Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride?
The InChIKey is MSLVGTFUEMHRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.ClH/c1-2-13(8-11(14)15)7-9-5-3-4-6-10(9)12;/h3-6H,2,7-8H2,1H3,(H,14,15);1H.
What are the key properties of 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride?
2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride has a molecular weight of 264.15 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride is sourced from PubChem (CID 102555145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).