2-hydroxypropyl 2-amino-3-methylbenzoate

C11H15NO3 — CID 65279683

IUPAC2-hydroxypropyl 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(C)O)c1N
InChIInChI=1S/C11H15NO3/c1-7-4-3-5-9(10(7)12)11(14)15-6-8(2)13/h3-5,8,13H,6,12H2,1-2H3
InChIKeyDGKMTTQWAUTCDU-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.11
Rot. Bonds3

About 2-hydroxypropyl 2-amino-3-methylbenzoate

2-hydroxypropyl 2-amino-3-methylbenzoate (PubChem CID 65279683) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-hydroxypropyl 2-amino-3-methylbenzoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-amino-3-methylbenzoate
PubChem CID65279683
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-hydroxypropyl 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(C)O)c1N
InChIInChI=1S/C11H15NO3/c1-7-4-3-5-9(10(7)12)11(14)15-6-8(2)13/h3-5,8,13H,6,12H2,1-2H3
InChIKeyDGKMTTQWAUTCDU-UHFFFAOYSA-N
XLogP1.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl 2-amino-3-methylbenzoate
CID 82850226
(3-amino-2-methyl-3-oxopropyl) 2-amino-3-methylbenzoate
CID 61322087
[3-oxo-3-(propan-2-ylamino)propyl] 2-amino-3-methylbenzoate
CID 62625918
2-methylsulfonylethyl 2-amino-3-methylbenzoate
CID 61321149
3-(2-amino-3-methylbenzoyl)oxypropanoic acid
CID 63949943
ethoxymethyl 2-amino-3-methylbenzoate
CID 65369778
bromo 2-amino-3-methylbenzoate
CID 174426723
3-cyanopropyl 2-amino-3-methylbenzoate
CID 60733416
5-hydroxypentyl 2-amino-3-methylbenzoate
CID 62229599
pyrimidin-2-ylmethyl 2-amino-3-methylbenzoate
CID 62700152
6-hydroxyhexyl 2-amino-3-methylbenzoate
CID 103925149
2-methylpropyl 2-bromo-3-methylbenzoate
CID 171989965

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-amino-3-methylbenzoate?
The IUPAC name of 2-hydroxypropyl 2-amino-3-methylbenzoate (CID 65279683) is 2-hydroxypropyl 2-amino-3-methylbenzoate.
What is the SMILES notation for 2-hydroxypropyl 2-amino-3-methylbenzoate?
The canonical SMILES for 2-hydroxypropyl 2-amino-3-methylbenzoate is Cc1cccc(C(=O)OCC(C)O)c1N.
What is the InChIKey of 2-hydroxypropyl 2-amino-3-methylbenzoate?
The InChIKey is DGKMTTQWAUTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-4-3-5-9(10(7)12)11(14)15-6-8(2)13/h3-5,8,13H,6,12H2,1-2H3.
What are the key properties of 2-hydroxypropyl 2-amino-3-methylbenzoate?
2-hydroxypropyl 2-amino-3-methylbenzoate has a molecular weight of 209.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-amino-3-methylbenzoate is sourced from PubChem (CID 65279683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).