2-methylpropyl 3-aminobenzoate

C11H15NO2 — CID 15914844

IUPAC2-methylpropyl 3-aminobenzoate
SMILESCC(C)COC(=O)c1cccc(N)c1
InChIInChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3
InChIKeyIURBCXATWNDAKW-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.08
Rot. Bonds3

About 2-methylpropyl 3-aminobenzoate

2-methylpropyl 3-aminobenzoate (PubChem CID 15914844) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methylpropyl 3-aminobenzoate.

Molecular Properties

Compound Name2-methylpropyl 3-aminobenzoate
PubChem CID15914844
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methylpropyl 3-aminobenzoate
SMILESCC(C)COC(=O)c1cccc(N)c1
InChIInChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3
InChIKeyIURBCXATWNDAKW-UHFFFAOYSA-N
XLogP2.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-methyl 3-O-(2-methylpropyl) benzene-1,3-dicarboxylate
CID 22571196
2-methylpropyl 4-aminobenzoate
CID 23616374
(2-oxo-2-propan-2-yloxyethyl) 3-aminobenzoate
CID 54943232
2-(2-methylpropylamino)ethyl 3-aminobenzoate
CID 11115
2-methylpropyl 3-benzamidobenzoate
CID 691358
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
benzyl 3-aminobenzoate;methanol
CID 142867139
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598
tetradecyl 3-aminobenzoate
CID 139931873
bis(3-methylbutyl) benzene-1,3-dicarboxylate
CID 69420045
[1-(diethylamino)-1-oxopropan-2-yl] 3-aminobenzoate
CID 60720897

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-aminobenzoate?
The IUPAC name of 2-methylpropyl 3-aminobenzoate (CID 15914844) is 2-methylpropyl 3-aminobenzoate.
What is the SMILES notation for 2-methylpropyl 3-aminobenzoate?
The canonical SMILES for 2-methylpropyl 3-aminobenzoate is CC(C)COC(=O)c1cccc(N)c1.
What is the InChIKey of 2-methylpropyl 3-aminobenzoate?
The InChIKey is IURBCXATWNDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3.
What are the key properties of 2-methylpropyl 3-aminobenzoate?
2-methylpropyl 3-aminobenzoate has a molecular weight of 193.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-aminobenzoate is sourced from PubChem (CID 15914844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).