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

C11H14ClNO2 — CID 39247201

IUPAC2-[(2-chlorophenyl)methyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/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)
InChIKeyZCIIOFYIPIKDAY-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.25
Rot. Bonds5

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

2-[(2-chlorophenyl)methyl-ethylamino]acetic acid (PubChem CID 39247201) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-ethylamino]acetic acid
PubChem CID39247201
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-[(2-chlorophenyl)methyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/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)
InChIKeyZCIIOFYIPIKDAY-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.25
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
Benzyl-N-methyl-L-alanine
CID 825998
Carboxylic acid deriv. A3
CID 23645756
Cambridge id 5425968
CID 782960
N-(2,6-dichlorobenzyl)valine
CID 3237092
N-benzyl-N-methylglycine
CID 301761
N-Acetyl-N-benzylglycine
CID 302089
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid (CID 39247201) is 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid is CCN(CC(=O)O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid?
The InChIKey is ZCIIOFYIPIKDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/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).
What are the key properties of 2-[(2-chlorophenyl)methyl-ethylamino]acetic acid?
2-[(2-chlorophenyl)methyl-ethylamino]acetic acid has a molecular weight of 227.69 g/mol, XLogP of 2.25, 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 is sourced from PubChem (CID 39247201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).