(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid

C10H13NO3 — CID 7046833

IUPAC(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
SMILESCCOc1cccc([C@@H](N)C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-2-14-8-5-3-4-7(6-8)9(11)10(12)13/h3-6,9H,2,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyARYHUMDBYPPPBK-SECBINFHSA-N
MW195.22 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid

(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid (PubChem CID 7046833) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
PubChem CID7046833
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
SMILESCCOc1cccc([C@@H](N)C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-2-14-8-5-3-4-7(6-8)9(11)10(12)13/h3-6,9H,2,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyARYHUMDBYPPPBK-SECBINFHSA-N
XLogP1.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
2-amino-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22278592
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
3-(3-ethoxyphenyl)pentanediamide
CID 20546636
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid (CID 7046833) is (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid is CCOc1cccc([C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid?
The InChIKey is ARYHUMDBYPPPBK-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-14-8-5-3-4-7(6-8)9(11)10(12)13/h3-6,9H,2,11H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid?
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-ethoxyphenyl)acetic acid is sourced from PubChem (CID 7046833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).