2-hydroxyethyl 2-amino-6-methoxybenzoate

C10H13NO4 — CID 81413891

IUPAC2-hydroxyethyl 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCCO
InChIInChI=1S/C10H13NO4/c1-14-8-4-2-3-7(11)9(8)10(13)15-6-5-12/h2-4,12H,5-6,11H2,1H3
InChIKeyZUDNSFVYZNVWNN-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.43
Rot. Bonds4

About 2-hydroxyethyl 2-amino-6-methoxybenzoate

2-hydroxyethyl 2-amino-6-methoxybenzoate (PubChem CID 81413891) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-hydroxyethyl 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-amino-6-methoxybenzoate
PubChem CID81413891
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-hydroxyethyl 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCCO
InChIInChI=1S/C10H13NO4/c1-14-8-4-2-3-7(11)9(8)10(13)15-6-5-12/h2-4,12H,5-6,11H2,1H3
InChIKeyZUDNSFVYZNVWNN-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
CID 81414041
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
3-(2,2,2-trifluoroethoxy)propyl 2-amino-6-methoxybenzoate
CID 81395083
(2-oxo-2-pyrrolidin-1-ylethyl) 2-amino-6-methoxybenzoate
CID 81414208
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457
thiophen-3-ylmethyl 2-amino-6-methoxybenzoate
CID 81414459
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
[2-(cyanomethylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414455

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-amino-6-methoxybenzoate?
The IUPAC name of 2-hydroxyethyl 2-amino-6-methoxybenzoate (CID 81413891) is 2-hydroxyethyl 2-amino-6-methoxybenzoate.
What is the SMILES notation for 2-hydroxyethyl 2-amino-6-methoxybenzoate?
The canonical SMILES for 2-hydroxyethyl 2-amino-6-methoxybenzoate is COc1cccc(N)c1C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-amino-6-methoxybenzoate?
The InChIKey is ZUDNSFVYZNVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-8-4-2-3-7(11)9(8)10(13)15-6-5-12/h2-4,12H,5-6,11H2,1H3.
What are the key properties of 2-hydroxyethyl 2-amino-6-methoxybenzoate?
2-hydroxyethyl 2-amino-6-methoxybenzoate has a molecular weight of 211.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81413891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).