2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol

C11H17NO5 — CID 70443356

IUPAC2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol
SMILESCOCO.NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C2H6O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-4-2-3/h1-4,8,11H,5,10H2,(H,12,13);3H,2H2,1H3
InChIKeyZFOYGAVELXLDSH-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.07
Rot. Bonds4

About 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol

2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol (PubChem CID 70443356) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol
PubChem CID70443356
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol
SMILESCOCO.NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C2H6O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-4-2-3/h1-4,8,11H,5,10H2,(H,12,13);3H,2H2,1H3
InChIKeyZFOYGAVELXLDSH-UHFFFAOYSA-N
XLogP-0.07
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid
CID 22500201
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol (CID 70443356) is 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol is COCO.NC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol?
The InChIKey is ZFOYGAVELXLDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C2H6O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-4-2-3/h1-4,8,11H,5,10H2,(H,12,13);3H,2H2,1H3.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol?
2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol has a molecular weight of 243.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol is sourced from PubChem (CID 70443356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).