2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride

C21H20ClNO3 — CID 67352020

IUPAC2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO3.ClH/c22-20(21(23)24)17-8-12-19(13-9-17)25-18-10-6-16(7-11-18)14-15-4-2-1-3-5-15;/h1-13,20H,14,22H2,(H,23,24);1H
InChIKeyIZJCDCNACRKKRG-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.58
Rot. Bonds6

About 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride

2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride (PubChem CID 67352020) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride
PubChem CID67352020
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO3.ClH/c22-20(21(23)24)17-8-12-19(13-9-17)25-18-10-6-16(7-11-18)14-15-4-2-1-3-5-15;/h1-13,20H,14,22H2,(H,23,24);1H
InChIKeyIZJCDCNACRKKRG-UHFFFAOYSA-N
XLogP4.58
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
1-amino-1-(4-benzylphenyl)butan-2-one
CID 174899338
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
CID 172809734
CID 172809734
2-amino-2-(4-phenoxyphenyl)acetohydrazide
CID 116848438
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride (CID 67352020) is 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride is Cl.NC(C(=O)O)c1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride?
The InChIKey is IZJCDCNACRKKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3.ClH/c22-20(21(23)24)17-8-12-19(13-9-17)25-18-10-6-16(7-11-18)14-15-4-2-1-3-5-15;/h1-13,20H,14,22H2,(H,23,24);1H.
What are the key properties of 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride?
2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 67352020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).