(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid

C14H21NO4 — CID 7139571

IUPAC(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid
SMILESCCCCOc1ccc([C@@H](N)C(=O)O)cc1OCC
InChIInChI=1S/C14H21NO4/c1-3-5-8-19-11-7-6-10(13(15)14(16)17)9-12(11)18-4-2/h6-7,9,13H,3-5,8,15H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyIXKZGXAVSKFUBR-CYBMUJFWSA-N
MW267.32 g/mol
LogP2.35
Rot. Bonds8

About (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid

(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid (PubChem CID 7139571) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid
PubChem CID7139571
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid
SMILESCCCCOc1ccc([C@@H](N)C(=O)O)cc1OCC
InChIInChI=1S/C14H21NO4/c1-3-5-8-19-11-7-6-10(13(15)14(16)17)9-12(11)18-4-2/h6-7,9,13H,3-5,8,15H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyIXKZGXAVSKFUBR-CYBMUJFWSA-N
XLogP2.35
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(4-butoxy-3-methoxyphenyl)acetic acid
CID 7139531
2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 16641918
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
(2S,3R)-2-amino-3-(3,4-dibutoxyphenyl)-3-hydroxypropanoic acid
CID 118267847
(2S)-2-azaniumyl-2-(4-butoxy-3-ethoxyphenyl)acetate
CID 7139568
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
CID 66512825
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
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
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid (CID 7139571) is (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid is CCCCOc1ccc([C@@H](N)C(=O)O)cc1OCC.
What is the InChIKey of (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid?
The InChIKey is IXKZGXAVSKFUBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-5-8-19-11-7-6-10(13(15)14(16)17)9-12(11)18-4-2/h6-7,9,13H,3-5,8,15H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid?
(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid has a molecular weight of 267.32 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid is sourced from PubChem (CID 7139571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).