benzyl 2-aminoacetate;hydrochloride

C9H12ClNO2 — CID 11701227

IUPACbenzyl 2-aminoacetate;hydrochloride
SMILESCl.NCC(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
InChIKeyVLQHNAMRWPQWNK-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.11
Rot. Bonds3

About benzyl 2-aminoacetate;hydrochloride

benzyl 2-aminoacetate;hydrochloride (PubChem CID 11701227) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is benzyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-aminoacetate;hydrochloride
PubChem CID11701227
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Namebenzyl 2-aminoacetate;hydrochloride
SMILESCl.NCC(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
InChIKeyVLQHNAMRWPQWNK-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-aminoacetate
CID 122130027
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl propanoate;hydrochloride
CID 140986165
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
benzyl 5-amino-3-methyl-4-oxopentanoate;hydrochloride
CID 174448804
benzyl 2-chloroacetate
CID 8786
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl 6-aminohexanoate;hydrochloride
CID 67401791
dibenzyl 3-hydroxypentanedioate
CID 23067924
(4-ethylphenyl)methyl 2-aminoacetate
CID 94253757
dibenzyl 4-oxoheptanedioate
CID 14639376
4-O-amino 1-O-benzyl butanedioate
CID 54013080

Frequently Asked Questions

What is the IUPAC name of benzyl 2-aminoacetate;hydrochloride?
The IUPAC name of benzyl 2-aminoacetate;hydrochloride (CID 11701227) is benzyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for benzyl 2-aminoacetate;hydrochloride?
The canonical SMILES for benzyl 2-aminoacetate;hydrochloride is Cl.NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-aminoacetate;hydrochloride?
The InChIKey is VLQHNAMRWPQWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H.
What are the key properties of benzyl 2-aminoacetate;hydrochloride?
benzyl 2-aminoacetate;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 11701227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).