2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid

C12H15ClN2O3 — CID 107440608

IUPAC2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CC(N)=O)CC(=O)O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-8-2-3-9(10(13)4-8)5-15(6-11(14)16)7-12(17)18/h2-4H,5-7H2,1H3,(H2,14,16)(H,17,18)
InChIKeyIERVNHFHAWOWFB-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.02
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid (PubChem CID 107440608) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
PubChem CID107440608
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CC(N)=O)CC(=O)O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-8-2-3-9(10(13)4-8)5-15(6-11(14)16)7-12(17)18/h2-4H,5-7H2,1H3,(H2,14,16)(H,17,18)
InChIKeyIERVNHFHAWOWFB-UHFFFAOYSA-N
XLogP1.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
2-[(2-amino-2-oxoethyl)-(2-chloro-4-methylphenyl)sulfonylamino]acetic acid
CID 107435628
3-[(2-chloro-4-methylphenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 106865226
2-[(4-carbamoyl-2-chlorophenyl)methyl-prop-2-enylamino]acetic acid
CID 102669043
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
2-bromo-3-(2-chloro-4-methylphenyl)propanamide
CID 104512971
1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine
CID 142181266
2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid
CID 107426131
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
3-[(2-chloro-4-methylphenyl)methyl-ethylamino]-N'-hydroxypropanimidamide
CID 106863814

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid (CID 107440608) is 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid is Cc1ccc(CN(CC(N)=O)CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid?
The InChIKey is IERVNHFHAWOWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8-2-3-9(10(13)4-8)5-15(6-11(14)16)7-12(17)18/h2-4H,5-7H2,1H3,(H2,14,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid has a molecular weight of 270.72 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 107440608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).