2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid

C16H22N2O2 — CID 79552154

IUPAC2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid
SMILESNc1ccccc1N(CC(=O)O)CC1CC2CCC1C2
InChIInChI=1S/C16H22N2O2/c17-14-3-1-2-4-15(14)18(10-16(19)20)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10,17H2,(H,19,20)
InChIKeyBLHOFMXHPLBXLK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid

2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid (PubChem CID 79552154) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid
PubChem CID79552154
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid
SMILESNc1ccccc1N(CC(=O)O)CC1CC2CCC1C2
InChIInChI=1S/C16H22N2O2/c17-14-3-1-2-4-15(14)18(10-16(19)20)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10,17H2,(H,19,20)
InChIKeyBLHOFMXHPLBXLK-UHFFFAOYSA-N
XLogP2.60
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 62102464
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63773832
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
CID 63683339
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114406641
2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
CID 114930488
2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid
CID 79558141
2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
CID 82898998
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid (CID 79552154) is 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid is Nc1ccccc1N(CC(=O)O)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid?
The InChIKey is BLHOFMXHPLBXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14-3-1-2-4-15(14)18(10-16(19)20)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10,17H2,(H,19,20).
What are the key properties of 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid?
2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid has a molecular weight of 274.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)anilino]acetic acid is sourced from PubChem (CID 79552154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).