amino 4-(2-methylpropyl)benzoate

C11H15NO2 — CID 163714335

IUPACamino 4-(2-methylpropyl)benzoate
SMILESCC(C)Cc1ccc(C(=O)ON)cc1
InChIInChI=1S/C11H15NO2/c1-8(2)7-9-3-5-10(6-4-9)11(13)14-12/h3-6,8H,7,12H2,1-2H3
InChIKeyKMACUACVCQLRJX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds3

About amino 4-(2-methylpropyl)benzoate

amino 4-(2-methylpropyl)benzoate (PubChem CID 163714335) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is amino 4-(2-methylpropyl)benzoate.

Molecular Properties

Compound Nameamino 4-(2-methylpropyl)benzoate
PubChem CID163714335
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameamino 4-(2-methylpropyl)benzoate
SMILESCC(C)Cc1ccc(C(=O)ON)cc1
InChIInChI=1S/C11H15NO2/c1-8(2)7-9-3-5-10(6-4-9)11(13)14-12/h3-6,8H,7,12H2,1-2H3
InChIKeyKMACUACVCQLRJX-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-amino-1-oxopropan-2-yl) 4-(2-methylpropyl)benzoate
CID 47006811
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
amino 4-butylbenzoate
CID 68976158
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538101
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
[2-(benzylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538197
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
2-(aminomethyl)-3-methyl-1-[4-(2-methylpropyl)phenyl]butan-1-one
CID 116923387
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropyl)benzoate
CID 8538238
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
methyl 4-(2-methoxypropyl)benzoate
CID 57294671

Frequently Asked Questions

What is the IUPAC name of amino 4-(2-methylpropyl)benzoate?
The IUPAC name of amino 4-(2-methylpropyl)benzoate (CID 163714335) is amino 4-(2-methylpropyl)benzoate.
What is the SMILES notation for amino 4-(2-methylpropyl)benzoate?
The canonical SMILES for amino 4-(2-methylpropyl)benzoate is CC(C)Cc1ccc(C(=O)ON)cc1.
What is the InChIKey of amino 4-(2-methylpropyl)benzoate?
The InChIKey is KMACUACVCQLRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)7-9-3-5-10(6-4-9)11(13)14-12/h3-6,8H,7,12H2,1-2H3.
What are the key properties of amino 4-(2-methylpropyl)benzoate?
amino 4-(2-methylpropyl)benzoate has a molecular weight of 193.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-(2-methylpropyl)benzoate is sourced from PubChem (CID 163714335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).