2-pyridin-2-ylethyl 2-aminobenzoate

C14H14N2O2 — CID 61323549

IUPAC2-pyridin-2-ylethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCc1ccccn1
InChIInChI=1S/C14H14N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10,15H2
InChIKeyPLEXVZXRDLCSGE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.06
Rot. Bonds4

About 2-pyridin-2-ylethyl 2-aminobenzoate

2-pyridin-2-ylethyl 2-aminobenzoate (PubChem CID 61323549) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl 2-aminobenzoate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl 2-aminobenzoate
PubChem CID61323549
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-pyridin-2-ylethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCc1ccccn1
InChIInChI=1S/C14H14N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10,15H2
InChIKeyPLEXVZXRDLCSGE-UHFFFAOYSA-N
XLogP2.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-ylethyl 4-amino-2,5-difluorobenzoate
CID 104700397
2-pyridin-2-ylethyl 3-(2-aminophenoxy)propanoate
CID 61314652
2-pyridin-2-ylethyl pyrimidine-5-carboxylate
CID 141091460
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
2-pyridin-2-ylethyl 2-sulfanylacetate
CID 71772265
bis(3-pyridin-2-ylpropyl) benzene-1,4-dicarboxylate
CID 71416852
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
3-pyridin-2-ylpropyl benzoate
CID 13206388
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
N-(2-aminophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006236
2-pyridin-2-ylethoxymethanedithioate
CID 175683293

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl 2-aminobenzoate?
The IUPAC name of 2-pyridin-2-ylethyl 2-aminobenzoate (CID 61323549) is 2-pyridin-2-ylethyl 2-aminobenzoate.
What is the SMILES notation for 2-pyridin-2-ylethyl 2-aminobenzoate?
The canonical SMILES for 2-pyridin-2-ylethyl 2-aminobenzoate is Nc1ccccc1C(=O)OCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethyl 2-aminobenzoate?
The InChIKey is PLEXVZXRDLCSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10,15H2.
What are the key properties of 2-pyridin-2-ylethyl 2-aminobenzoate?
2-pyridin-2-ylethyl 2-aminobenzoate has a molecular weight of 242.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl 2-aminobenzoate is sourced from PubChem (CID 61323549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).