2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid

C11H15NO5 — CID 5100265

IUPAC2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)cc(OC)c1OC
InChIInChI=1S/C11H15NO5/c1-15-7-4-6(9(12)11(13)14)5-8(16-2)10(7)17-3/h4-5,9H,12H2,1-3H3,(H,13,14)
InChIKeyQDHRTWRXHAMCQR-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.80
Rot. Bonds5

About 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid

2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid (PubChem CID 5100265) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
PubChem CID5100265
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)cc(OC)c1OC
InChIInChI=1S/C11H15NO5/c1-15-7-4-6(9(12)11(13)14)5-8(16-2)10(7)17-3/h4-5,9H,12H2,1-3H3,(H,13,14)
InChIKeyQDHRTWRXHAMCQR-UHFFFAOYSA-N
XLogP0.80
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid
CID 10542024
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid
CID 7139595
[2-methoxy-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
CID 23378435
(2R)-3-methyl-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 93182014
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
(2R)-2-amino-2-(3-bromo-4-hexoxy-5-methoxyphenyl)acetic acid
CID 7139611
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid (CID 5100265) is 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid is COc1cc(C(N)C(=O)O)cc(OC)c1OC.
What is the InChIKey of 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid?
The InChIKey is QDHRTWRXHAMCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-7-4-6(9(12)11(13)14)5-8(16-2)10(7)17-3/h4-5,9H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid?
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid has a molecular weight of 241.24 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 5100265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).