(2-hydroxyphenyl)methyl 2-aminoacetate

C9H11NO3 — CID 22107216

IUPAC(2-hydroxyphenyl)methyl 2-aminoacetate
SMILESNCC(=O)OCc1ccccc1O
InChIInChI=1S/C9H11NO3/c10-5-9(12)13-6-7-3-1-2-4-8(7)11/h1-4,11H,5-6,10H2
InChIKeyBXJRTMDMIIIEBC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.39
Rot. Bonds3

About (2-hydroxyphenyl)methyl 2-aminoacetate

(2-hydroxyphenyl)methyl 2-aminoacetate (PubChem CID 22107216) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2-hydroxyphenyl)methyl 2-aminoacetate.

Molecular Properties

Compound Name(2-hydroxyphenyl)methyl 2-aminoacetate
PubChem CID22107216
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2-hydroxyphenyl)methyl 2-aminoacetate
SMILESNCC(=O)OCc1ccccc1O
InChIInChI=1S/C9H11NO3/c10-5-9(12)13-6-7-3-1-2-4-8(7)11/h1-4,11H,5-6,10H2
InChIKeyBXJRTMDMIIIEBC-UHFFFAOYSA-N
XLogP0.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methyl 2-aminoacetate?
The IUPAC name of (2-hydroxyphenyl)methyl 2-aminoacetate (CID 22107216) is (2-hydroxyphenyl)methyl 2-aminoacetate.
What is the SMILES notation for (2-hydroxyphenyl)methyl 2-aminoacetate?
The canonical SMILES for (2-hydroxyphenyl)methyl 2-aminoacetate is NCC(=O)OCc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)methyl 2-aminoacetate?
The InChIKey is BXJRTMDMIIIEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-5-9(12)13-6-7-3-1-2-4-8(7)11/h1-4,11H,5-6,10H2.
What are the key properties of (2-hydroxyphenyl)methyl 2-aminoacetate?
(2-hydroxyphenyl)methyl 2-aminoacetate has a molecular weight of 181.19 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methyl 2-aminoacetate is sourced from PubChem (CID 22107216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).