(2,4-dimethylphenyl)methyl 2-aminoacetate

C11H15NO2 — CID 82112007

IUPAC(2,4-dimethylphenyl)methyl 2-aminoacetate
SMILESCc1ccc(COC(=O)CN)c(C)c1
InChIInChI=1S/C11H15NO2/c1-8-3-4-10(9(2)5-8)7-14-11(13)6-12/h3-5H,6-7,12H2,1-2H3
InChIKeyXWNFTCOKRGXURX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.31
Rot. Bonds3

About (2,4-dimethylphenyl)methyl 2-aminoacetate

(2,4-dimethylphenyl)methyl 2-aminoacetate (PubChem CID 82112007) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2,4-dimethylphenyl)methyl 2-aminoacetate.

Molecular Properties

Compound Name(2,4-dimethylphenyl)methyl 2-aminoacetate
PubChem CID82112007
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2,4-dimethylphenyl)methyl 2-aminoacetate
SMILESCc1ccc(COC(=O)CN)c(C)c1
InChIInChI=1S/C11H15NO2/c1-8-3-4-10(9(2)5-8)7-14-11(13)6-12/h3-5H,6-7,12H2,1-2H3
InChIKeyXWNFTCOKRGXURX-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione
CID 158299376
(2,4-dimethylphenyl)methyl 2,4,4-trimethylpentanoate
CID 102345880
2-(2,4-dimethylphenyl)ethyl carbamate
CID 123427544
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242
ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate
CID 66875325
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
CID 115257415
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)methyl 2-aminoacetate?
The IUPAC name of (2,4-dimethylphenyl)methyl 2-aminoacetate (CID 82112007) is (2,4-dimethylphenyl)methyl 2-aminoacetate.
What is the SMILES notation for (2,4-dimethylphenyl)methyl 2-aminoacetate?
The canonical SMILES for (2,4-dimethylphenyl)methyl 2-aminoacetate is Cc1ccc(COC(=O)CN)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)methyl 2-aminoacetate?
The InChIKey is XWNFTCOKRGXURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-3-4-10(9(2)5-8)7-14-11(13)6-12/h3-5H,6-7,12H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)methyl 2-aminoacetate?
(2,4-dimethylphenyl)methyl 2-aminoacetate has a molecular weight of 193.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)methyl 2-aminoacetate is sourced from PubChem (CID 82112007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).