(4-ethylphenyl)methyl 2-aminoacetate

C11H15NO2 — CID 94253757

IUPAC(4-ethylphenyl)methyl 2-aminoacetate
SMILESCCc1ccc(COC(=O)CN)cc1
InChIInChI=1S/C11H15NO2/c1-2-9-3-5-10(6-4-9)8-14-11(13)7-12/h3-6H,2,7-8,12H2,1H3
InChIKeyZNEKQSPAPXNSFJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.25
Rot. Bonds4

About (4-ethylphenyl)methyl 2-aminoacetate

(4-ethylphenyl)methyl 2-aminoacetate (PubChem CID 94253757) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4-ethylphenyl)methyl 2-aminoacetate.

Molecular Properties

Compound Name(4-ethylphenyl)methyl 2-aminoacetate
PubChem CID94253757
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4-ethylphenyl)methyl 2-aminoacetate
SMILESCCc1ccc(COC(=O)CN)cc1
InChIInChI=1S/C11H15NO2/c1-2-9-3-5-10(6-4-9)8-14-11(13)7-12/h3-6H,2,7-8,12H2,1H3
InChIKeyZNEKQSPAPXNSFJ-UHFFFAOYSA-N
XLogP1.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-aminoacetate
CID 122130027
benzyl 2-aminoacetate;hydrochloride
CID 11701227
[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
ethane;(4-ethylphenyl)methyl carbonofluoridate
CID 178047310
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate
CID 159970394
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
benzyl propanoate;hydrochloride
CID 140986165
ethyl 4-[(4-ethylphenyl)methoxy]-3-oxobutanoate
CID 18172568
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methyl 2-aminoacetate?
The IUPAC name of (4-ethylphenyl)methyl 2-aminoacetate (CID 94253757) is (4-ethylphenyl)methyl 2-aminoacetate.
What is the SMILES notation for (4-ethylphenyl)methyl 2-aminoacetate?
The canonical SMILES for (4-ethylphenyl)methyl 2-aminoacetate is CCc1ccc(COC(=O)CN)cc1.
What is the InChIKey of (4-ethylphenyl)methyl 2-aminoacetate?
The InChIKey is ZNEKQSPAPXNSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-9-3-5-10(6-4-9)8-14-11(13)7-12/h3-6H,2,7-8,12H2,1H3.
What are the key properties of (4-ethylphenyl)methyl 2-aminoacetate?
(4-ethylphenyl)methyl 2-aminoacetate has a molecular weight of 193.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyl 2-aminoacetate is sourced from PubChem (CID 94253757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).