(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid

C11H15NO4 — CID 124634766

IUPAC(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
SMILESCCOc1cc([C@@H](N)C(=O)O)ccc1OC
InChIInChI=1S/C11H15NO4/c1-3-16-9-6-7(10(12)11(13)14)4-5-8(9)15-2/h4-6,10H,3,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyRSHMDDPZZGLVAD-SNVBAGLBSA-N
MW225.24 g/mol
LogP1.18
Rot. Bonds5

About (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid

(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid (PubChem CID 124634766) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
PubChem CID124634766
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
SMILESCCOc1cc([C@@H](N)C(=O)O)ccc1OC
InChIInChI=1S/C11H15NO4/c1-3-16-9-6-7(10(12)11(13)14)4-5-8(9)15-2/h4-6,10H,3,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyRSHMDDPZZGLVAD-SNVBAGLBSA-N
XLogP1.18
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid
CID 7139571
(2R)-2-amino-2-(4-butoxy-3-methoxyphenyl)acetic acid
CID 7139531
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 16641918
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
CID 66512825
ethyl (3S)-3-amino-3-(3-ethoxy-4-methoxyphenyl)-2-fluoropropanoate
CID 171250049
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
CID 4258728
(2S)-2-amino-2-[4-(cyclohexanecarbonyloxy)-3-ethoxyphenyl]acetic acid
CID 66513851
(2S)-2-amino-2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]acetic acid
CID 66513682
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid (CID 124634766) is (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid is CCOc1cc([C@@H](N)C(=O)O)ccc1OC.
What is the InChIKey of (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid?
The InChIKey is RSHMDDPZZGLVAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-16-9-6-7(10(12)11(13)14)4-5-8(9)15-2/h4-6,10H,3,12H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid?
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 124634766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).