(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride

C10H14ClNO3 — CID 162344172

IUPAC(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
SMILESCCOc1ccc([C@H](N)C(=O)O)cc1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13;/h3-6,9H,2,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyUGFMTPLEMGIWQM-FVGYRXGTSA-N
MW231.68 g/mol
LogP1.59
Rot. Bonds4

About (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride

(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride (PubChem CID 162344172) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
PubChem CID162344172
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
SMILESCCOc1ccc([C@H](N)C(=O)O)cc1.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13;/h3-6,9H,2,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyUGFMTPLEMGIWQM-FVGYRXGTSA-N
XLogP1.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
CID 84794175
2-amino-3-(4-ethoxyphenyl)-3-(methylamino)propanoic acid
CID 116957355
2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
CID 151837397
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
CID 77128830
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride (CID 162344172) is (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride is CCOc1ccc([C@H](N)C(=O)O)cc1.Cl.
What is the InChIKey of (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride?
The InChIKey is UGFMTPLEMGIWQM-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13;/h3-6,9H,2,11H2,1H3,(H,12,13);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride?
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride is sourced from PubChem (CID 162344172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).