ethyl 4-(2-aminoacetyl)benzoate;hydrochloride

C11H14ClNO3 — CID 18613865

IUPACethyl 4-(2-aminoacetyl)benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(C(=O)CN)cc1.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-2-15-11(14)9-5-3-8(4-6-9)10(13)7-12;/h3-6H,2,7,12H2,1H3;1H
InChIKeyFJNXIDKVVKLZSF-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.43
Rot. Bonds4

About ethyl 4-(2-aminoacetyl)benzoate;hydrochloride

ethyl 4-(2-aminoacetyl)benzoate;hydrochloride (PubChem CID 18613865) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is ethyl 4-(2-aminoacetyl)benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(2-aminoacetyl)benzoate;hydrochloride
PubChem CID18613865
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nameethyl 4-(2-aminoacetyl)benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(C(=O)CN)cc1.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-2-15-11(14)9-5-3-8(4-6-9)10(13)7-12;/h3-6H,2,7,12H2,1H3;1H
InChIKeyFJNXIDKVVKLZSF-UHFFFAOYSA-N
XLogP1.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminoacetyl)benzoate;hydrochloride?
The IUPAC name of ethyl 4-(2-aminoacetyl)benzoate;hydrochloride (CID 18613865) is ethyl 4-(2-aminoacetyl)benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-(2-aminoacetyl)benzoate;hydrochloride?
The canonical SMILES for ethyl 4-(2-aminoacetyl)benzoate;hydrochloride is CCOC(=O)c1ccc(C(=O)CN)cc1.Cl.
What is the InChIKey of ethyl 4-(2-aminoacetyl)benzoate;hydrochloride?
The InChIKey is FJNXIDKVVKLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c1-2-15-11(14)9-5-3-8(4-6-9)10(13)7-12;/h3-6H,2,7,12H2,1H3;1H.
What are the key properties of ethyl 4-(2-aminoacetyl)benzoate;hydrochloride?
ethyl 4-(2-aminoacetyl)benzoate;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminoacetyl)benzoate;hydrochloride is sourced from PubChem (CID 18613865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).