benzyl 2-aminoacetate

C9H11NO2 — CID 122130027

IUPACbenzyl 2-aminoacetate
SMILESN[13CH2]C(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2/i6+1
InChIKeyJXYACYYPACQCDM-PTQBSOBMSA-N
MW166.18 g/mol
LogP0.69
Rot. Bonds3

About benzyl 2-aminoacetate

benzyl 2-aminoacetate (PubChem CID 122130027) has the molecular formula C9H11NO2 and a molecular weight of 166.18 g/mol. Its IUPAC name is benzyl 2-aminoacetate.

Molecular Properties

Compound Namebenzyl 2-aminoacetate
PubChem CID122130027
Molecular FormulaC9H11NO2
Molecular Weight166.18 g/mol
Exact Mass166.08
IUPAC Namebenzyl 2-aminoacetate
SMILESN[13CH2]C(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2/i6+1
InChIKeyJXYACYYPACQCDM-PTQBSOBMSA-N
XLogP0.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-chloroacetate
CID 8786
dibenzyl 3-hydroxypentanedioate
CID 23067924
dibenzyl 4-oxoheptanedioate
CID 14639376
(4-ethylphenyl)methyl 2-aminoacetate
CID 94253757
benzyl propanoate;hydrochloride
CID 140986165
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
4-O-amino 1-O-benzyl butanedioate
CID 54013080
azane;benzyl 3-phenylpropanoate
CID 175136325
benzyl 5-amino-3-methyl-4-oxopentanoate;hydrochloride
CID 174448804
CID 174906307
CID 174906307

Frequently Asked Questions

What is the IUPAC name of benzyl 2-aminoacetate?
The IUPAC name of benzyl 2-aminoacetate (CID 122130027) is benzyl 2-aminoacetate.
What is the SMILES notation for benzyl 2-aminoacetate?
The canonical SMILES for benzyl 2-aminoacetate is N[13CH2]C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-aminoacetate?
The InChIKey is JXYACYYPACQCDM-PTQBSOBMSA-N. The full InChI is InChI=1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2/i6+1.
What are the key properties of benzyl 2-aminoacetate?
benzyl 2-aminoacetate has a molecular weight of 166.18 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-aminoacetate is sourced from PubChem (CID 122130027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).