(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate

C10H13NO4 — CID 175589732

IUPAC(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
SMILESCOc1cc(COC(=O)CN)ccc1O
InChIInChI=1S/C10H13NO4/c1-14-9-4-7(2-3-8(9)12)6-15-10(13)5-11/h2-4,12H,5-6,11H2,1H3
InChIKeyWMTUVZRXJMQJDJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.40
Rot. Bonds4

About (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate

(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate (PubChem CID 175589732) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate.

Molecular Properties

Compound Name(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
PubChem CID175589732
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
SMILESCOc1cc(COC(=O)CN)ccc1O
InChIInChI=1S/C10H13NO4/c1-14-9-4-7(2-3-8(9)12)6-15-10(13)5-11/h2-4,12H,5-6,11H2,1H3
InChIKeyWMTUVZRXJMQJDJ-UHFFFAOYSA-N
XLogP0.40
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate
CID 68603374
ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 155414836
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
CID 171933866
methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 121224875
(4-hydroxy-3-methoxyphenyl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 175420100
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate?
The IUPAC name of (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate (CID 175589732) is (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate.
What is the SMILES notation for (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate?
The canonical SMILES for (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate is COc1cc(COC(=O)CN)ccc1O.
What is the InChIKey of (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate?
The InChIKey is WMTUVZRXJMQJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-9-4-7(2-3-8(9)12)6-15-10(13)5-11/h2-4,12H,5-6,11H2,1H3.
What are the key properties of (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate?
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate has a molecular weight of 211.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate is sourced from PubChem (CID 175589732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).