2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid

C14H21NO4 — CID 16641918

IUPAC2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid
SMILESCCCCCOc1ccc(C(N)C(=O)O)cc1OC
InChIInChI=1S/C14H21NO4/c1-3-4-5-8-19-11-7-6-10(9-12(11)18-2)13(15)14(16)17/h6-7,9,13H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyZJDGQLYCUZWERW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.35
Rot. Bonds8

About 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid

2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid (PubChem CID 16641918) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid
PubChem CID16641918
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC Name2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid
SMILESCCCCCOc1ccc(C(N)C(=O)O)cc1OC
InChIInChI=1S/C14H21NO4/c1-3-4-5-8-19-11-7-6-10(9-12(11)18-2)13(15)14(16)17/h6-7,9,13H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyZJDGQLYCUZWERW-UHFFFAOYSA-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 ≤ 500267.33
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
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
CID 66512825
(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid
CID 7139571
2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
CID 4258728
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide
CID 2139822
(2R)-2-amino-2-(3-bromo-4-hexoxy-5-methoxyphenyl)acetic acid
CID 7139611
1,5-bis(4-dodecoxy-3-methoxyphenyl)-3-oxopentane-1,5-disulfonate
CID 172523838
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid (CID 16641918) is 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid is CCCCCOc1ccc(C(N)C(=O)O)cc1OC.
What is the InChIKey of 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid?
The InChIKey is ZJDGQLYCUZWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-4-5-8-19-11-7-6-10(9-12(11)18-2)13(15)14(16)17/h6-7,9,13H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid?
2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid has a molecular weight of 267.33 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 2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid is sourced from PubChem (CID 16641918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).